N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

C22H23ClN2O2S — CID 18512058

IUPACN-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2S/c1-17-21(24-28(2,26)27)9-6-10-22(17)25(15-18-7-4-3-5-8-18)16-19-11-13-20(23)14-12-19/h3-14,24H,15-16H2,1-2H3
InChIKeyHAIYBTADHPWSDZ-UHFFFAOYSA-N
MW414.96 g/mol
LogP5.23
Rot. Bonds7

About N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide

N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (PubChem CID 18512058) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
PubChem CID18512058
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC NameN-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide
SMILESCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2S/c1-17-21(24-28(2,26)27)9-6-10-22(17)25(15-18-7-4-3-5-8-18)16-19-11-13-20(23)14-12-19/h3-14,24H,15-16H2,1-2H3
InChIKeyHAIYBTADHPWSDZ-UHFFFAOYSA-N
XLogP5.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide 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-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide (CID 18512058) is N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
The InChIKey is HAIYBTADHPWSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-17-21(24-28(2,26)27)9-6-10-22(17)25(15-18-7-4-3-5-8-18)16-19-11-13-20(23)14-12-19/h3-14,24H,15-16H2,1-2H3.
What are the key properties of N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide?
N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide has a molecular weight of 414.96 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl-[(4-chlorophenyl)methyl]amino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 18512058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).