N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C21H24N2O3S — CID 109063192

IUPACN-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H24N2O3S/c1-15-13-16-7-2-5-12-20(16)23(15)21(24)17-8-6-11-19(14-17)27(25,26)22-18-9-3-4-10-18/h2,5-8,11-12,14-15,18,22H,3-4,9-10,13H2,1H3
InChIKeyUVAHOALJAODKSR-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.50
Rot. Bonds4

About N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 109063192) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID109063192
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C21H24N2O3S/c1-15-13-16-7-2-5-12-20(16)23(15)21(24)17-8-6-11-19(14-17)27(25,26)22-18-9-3-4-10-18/h2,5-8,11-12,14-15,18,22H,3-4,9-10,13H2,1H3
InChIKeyUVAHOALJAODKSR-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837
2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42892758
N-cyclopropyl-4-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940847
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 25392039
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 109063192) is N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is CC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is UVAHOALJAODKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-13-16-7-2-5-12-20(16)23(15)21(24)17-8-6-11-19(14-17)27(25,26)22-18-9-3-4-10-18/h2,5-8,11-12,14-15,18,22H,3-4,9-10,13H2,1H3.
What are the key properties of N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).