Chemical Components in the PDB

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UE7 : Summary

Code

UE7

One-letter code

X

Molecule name

1-ethyl-3-(4-sulfamoylphenyl)urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-ethyl-3-(4-sulfamoylphenyl)urea

Formula

C9 H13 N3 O3 S

Formal charge

0

Molecular weight

243.283 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-7-3-5-8(6-4-7)16(10,14)15/h3-6H,2H2,1H3,(H2,10,14,15)(H2,11,12,13)

IUPAC InChI key

MMKFCCLMBRGOIK-UHFFFAOYSA-N
UE7

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-02-02

Last modified at

2024-02-16

Status

Released

Obsoleted

Not Assigned