5'-Chloro-[2,2']bithiophenyl-5-sulfonic acid [2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-pyrrolidin-3(S)-yl]-amide

HCID 10074410

Basic information

Standard SMILES
O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCN1Cc1cc2cnccc2[nH]1
InChIKey
KRDBQLOMRCHPIU-HNNXBMFYSA-N
Molecular formula
C20H17ClN4O3S3
Average molar mass
493 g/mol

Names & identifiers

Preferred name
5'-Chloro-[2,2']bithiophenyl-5-sulfonic acid [2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-pyrrolidin-3(S)-yl]-amide
IUPAC
5-(5-chlorothiophen-2-yl)-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide

Names & synonyms

CHEMBL268917KRDBQLOMRCHPIU-HNNXBMFYSA-N5'-Chloro-[2,2']bithiophenyl-5-sulfonic acid [2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-pyrrolidin-3(S)-yl]-amide5'-Chloro-[2,2']bithiophenyl-5-sulfonic acid[2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-pyrrolidin-3(S)-yl]-amide5'Chloro-[2,2']bithiophenyl-5-sulfonic Acid [2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-pyrrolidin-3(S)-yl]-amide

Database identifiers

PubChem CID
10074410
ChEMBL
CHEMBL268917
Nikkaji
J1.319.633H

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
160 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

3 records

Compound notes

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