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

C23H22N2O3S — CID 43006039

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1C
InChIInChI=1S/C23H22N2O3S/c1-16-7-10-20(15-17(16)2)24-29(27,28)21-11-8-19(9-12-21)23(26)25-14-13-18-5-3-4-6-22(18)25/h3-12,15,24H,13-14H2,1-2H3
InChIKeyGRWCHNHSHHZYDZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.31
Rot. Bonds4

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

4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide (PubChem CID 43006039) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
PubChem CID43006039
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1C
InChIInChI=1S/C23H22N2O3S/c1-16-7-10-20(15-17(16)2)24-29(27,28)21-11-8-19(9-12-21)23(26)25-14-13-18-5-3-4-6-22(18)25/h3-12,15,24H,13-14H2,1-2H3
InChIKeyGRWCHNHSHHZYDZ-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 26681045
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
7-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 139000538
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
N-(3,4-dimethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 27825919
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 37162744

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide (CID 43006039) is 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1C.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is GRWCHNHSHHZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16-7-10-20(15-17(16)2)24-29(27,28)21-11-8-19(9-12-21)23(26)25-14-13-18-5-3-4-6-22(18)25/h3-12,15,24H,13-14H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide?
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 4.31, 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-(3,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 43006039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).