4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide

C22H20N2O3S — CID 2634580

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3S/c1-23(19-8-3-2-4-9-19)28(26,27)20-13-11-18(12-14-20)22(25)24-16-15-17-7-5-6-10-21(17)24/h2-14H,15-16H2,1H3
InChIKeyCQYXFRKINNOPGH-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.71
Rot. Bonds4

About 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide

4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 2634580) 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-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
PubChem CID2634580
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H20N2O3S/c1-23(19-8-3-2-4-9-19)28(26,27)20-13-11-18(12-14-20)22(25)24-16-15-17-7-5-6-10-21(17)24/h2-14H,15-16H2,1H3
InChIKeyCQYXFRKINNOPGH-UHFFFAOYSA-N
XLogP3.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide (CID 2634580) is 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is CQYXFRKINNOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-23(19-8-3-2-4-9-19)28(26,27)20-13-11-18(12-14-20)22(25)24-16-15-17-7-5-6-10-21(17)24/h2-14H,15-16H2,1H3.
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2634580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).