Chemical Components in the PDB

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RV1 : Summary

Code

RV1

One-letter code

X

Molecule name

N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
OpenEye OEToolkits 1.7.6 N-(4-aminophenyl)sulfonylcyclopropanecarboxamide

Formula

C10 H12 N2 O3 S

Formal charge

0

Molecular weight

240.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2
SMILES CACTVS 3.385 Nc1ccc(cc1)[S](=O)(=O)NC(=O)C2CC2
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2
Canonical SMILES CACTVS 3.385 Nc1ccc(cc1)[S](=O)(=O)NC(=O)C2CC2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2

IUPAC InChI

InChI=1S/C10H12N2O3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)

IUPAC InChI key

KTKSMAGLIAHVSM-UHFFFAOYSA-N
RV1

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-07-02

Last modified at

2015-02-27

Status

Released

Obsoleted

Not Assigned