N-[5-(1-hexanoyl-1H-indol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

HCID 25190838

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Basic information

CAS: 1186654-77-2
Standard SMILES: CCCCCC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21
InChIKey: QFAYFGIEPQGOAP-UHFFFAOYSA-N
Molecular formula: C29H30N2O3S
Average molar mass: 486.6 g/mol
Monoisotopic mass: 486.197714

Names & identifiers

Preferred name: N-[5-(1-hexanoyl-1H-indol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
IUPAC: N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

Names & synonyms

N-[5-(1-hexanoyl-1H-indol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamideindole derivative, 20CHEMBL400701BDBM27298DTXSID6011343231186654-77-2N-[2,3-Dihydro-5-[1-(1-oxohexyl)-1H-indol-2-yl]-1H-inden-2-yl]benzenesulfonamide

Database identifiers

CAS: 1186654-77-2
PubChem CID: 25190838
DTXSID: DTXSID601134323
ChEMBL: CHEMBL400701

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 76.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 818

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