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
- Formal charge
- 0
- Complexity
- 782
Related reactions
3 records
Compound notes
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