N-(2-(Imidazole-4-yl)ethyl)-3-phenylsulfonyl-5-chloroindole-2-carboxamide
Basic information
- CAS
158561-04-7- Standard SMILES
O=C(NCCc1cnc[nH]1)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1- InChIKey
AFJLCBBANCWKHE-UHFFFAOYSA-N- Molecular formula
- C20H17ClN4O3S
- Average molar mass
- 428.9 g/mol
- Monoisotopic mass
- 428.0709893
Names & identifiers
- Preferred name
- N-(2-(Imidazole-4-yl)ethyl)-3-phenylsulfonyl-5-chloroindole-2-carboxamide
- IUPAC
- 3-(benzenesulfonyl)-5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1H-indole-2-carboxamide
Names & synonyms
158561-04-7N-(2-(Imidazole-4-yl)ethyl)-3-phenylsulfonyl-5-chloroindole-2-carboxamideN-[2-(Imidazole-4-yl)ethyl]-3-phenylsulfonyl-5-chloroindole-2-carboxamideSCHEMBL8938466DTXSID90166467AFJLCBBANCWKHE-UHFFFAOYSA-N3-(benzenesulfonyl)-5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1H-indole-2-carboxamideN-[2-(imidazol-4-yl)ethyl]-3-phenylsulfonyl-5-chloroindole-2-carboxamide3-(benzenesulfonyl)-5-chloro-N-[2-(1H-imidazol-4-yl)ethyl]-1H-indole-2-carboxamide
Database identifiers
- CAS
158561-04-7- PubChem CID
- 483544
- DTXSID
DTXSID90166467
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 680
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Compound notes
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