4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide

C22H20N2O3S — CID 26681045

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3S/c1-16-6-2-4-8-20(16)23-28(26,27)19-12-10-18(11-13-19)22(25)24-15-14-17-7-3-5-9-21(17)24/h2-13,23H,14-15H2,1H3
InChIKeyIBRAOUREUQWOHF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.00
Rot. Bonds4

About 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide

4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 26681045) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
PubChem CID26681045
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3S/c1-16-6-2-4-8-20(16)23-28(26,27)19-12-10-18(11-13-19)22(25)24-15-14-17-7-3-5-9-21(17)24/h2-13,23H,14-15H2,1H3
InChIKeyIBRAOUREUQWOHF-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 26681039
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
CID 9164303

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide (CID 26681045) is 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is IBRAOUREUQWOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16-6-2-4-8-20(16)23-28(26,27)19-12-10-18(11-13-19)22(25)24-15-14-17-7-3-5-9-21(17)24/h2-13,23H,14-15H2,1H3.
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26681045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).