Chemical Components in the PDB

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P7M : Summary

Code

P7M

One-letter code

X

Molecule name

N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
OpenEye OEToolkits 2.0.7 ~{N}-(5-bromanylthiophen-2-yl)sulfonyl-2,4-bis(chloranyl)benzamide

Formula

C11 H6 Br Cl2 N O3 S2

Formal charge

0

Molecular weight

415.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O
SMILES CACTVS 3.385 Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2
SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br
Canonical SMILES CACTVS 3.385 Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br

IUPAC InChI

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

WWONFUQGBVOKOF-UHFFFAOYSA-N
P7M

wwPDB Information

Atom count

26 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-05

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned