1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide

C23H22N2O3S2 — CID 132671580

IUPAC1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O3S2/c1-16-14-18-15-19(30(27,28)24-20-10-6-7-11-22(20)29-2)12-13-21(18)25(16)23(26)17-8-4-3-5-9-17/h3-13,15-16,24H,14H2,1-2H3
InChIKeyFSXJYBNNNIXIMU-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.80
Rot. Bonds5

About 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide

1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 132671580) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID132671580
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC Name1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O3S2/c1-16-14-18-15-19(30(27,28)24-20-10-6-7-11-22(20)29-2)12-13-21(18)25(16)23(26)17-8-4-3-5-9-17/h3-13,15-16,24H,14H2,1-2H3
InChIKeyFSXJYBNNNIXIMU-UHFFFAOYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide 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 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide (CID 132671580) is 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FSXJYBNNNIXIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c1-16-14-18-15-19(30(27,28)24-20-10-6-7-11-22(20)29-2)12-13-21(18)25(16)23(26)17-8-4-3-5-9-17/h3-13,15-16,24H,14H2,1-2H3.
What are the key properties of 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 438.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 132671580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).