N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide

C22H20N2O2S — CID 102139580

IUPACN-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide
SMILESCN(c1c(-c2ccccc2)c2ccccc2n1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O2S/c1-23-20-16-10-9-15-19(20)21(17-11-5-3-6-12-17)22(23)24(2)27(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyAGCVWQKFIYSVAW-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.67
Rot. Bonds4

About N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide

N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide (PubChem CID 102139580) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide
PubChem CID102139580
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide
SMILESCN(c1c(-c2ccccc2)c2ccccc2n1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O2S/c1-23-20-16-10-9-15-19(20)21(17-11-5-3-6-12-17)22(23)24(2)27(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyAGCVWQKFIYSVAW-UHFFFAOYSA-N
XLogP4.67
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide 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 N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide (CID 102139580) is N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide is CN(c1c(-c2ccccc2)c2ccccc2n1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide?
The InChIKey is AGCVWQKFIYSVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-23-20-16-10-9-15-19(20)21(17-11-5-3-6-12-17)22(23)24(2)27(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3.
What are the key properties of N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide?
N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 102139580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).