3-(benzenesulfonyl)-5-chloro-N-[2-(1-methylimidazol-4-yl)ethyl]-1H-indole-2-carboxamide

HCID 483545
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1cnc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)c1
InChIKey
YKTUEHYXFIFGAI-UHFFFAOYSA-N
Molecular formula
C21H19ClN4O3S
Average molar mass
442.9 g/mol
Monoisotopic mass
442.0866393

Names & identifiers

Preferred name
3-(benzenesulfonyl)-5-chloro-N-[2-(1-methylimidazol-4-yl)ethyl]-1H-indole-2-carboxamide
IUPAC
3-(benzenesulfonyl)-5-chloro-N-[2-(1-methylimidazol-4-yl)ethyl]-1H-indole-2-carboxamide

Names & synonyms

SCHEMBL8938345YKTUEHYXFIFGAI-UHFFFAOYSA-N3-(benzenesulfonyl)-5-chloro-N-[2-(1-methylimidazol-4-yl)ethyl]-1H-indole-2-carboxamideN-[2-(1-methylimidazol-4-yl)ethyl]-3-phenylsulfonyl-5-chloroindole-2-carboxamideN-[2-(1-Methylimidazole-4-yl)ethyl]-3-phenylsulfonyl-5-chloroindole-2-carboxamide

Database identifiers

PubChem CID
483545

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
105 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

Loading…