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P7M : Summary
Code ![](/pdbe/static/images/help.png)
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P7M
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H6 Br Cl2 N O3 S2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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415.11 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O |
SMILES
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CACTVS |
3.385 |
Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br |
Canonical SMILES
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CACTVS |
3.385 |
Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WWONFUQGBVOKOF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (20 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2019-08-05
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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