2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide

C17H19ClN2O3S — CID 1131211

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-3-5-14(6-4-13)11-19-17(21)12-20(24(2,22)23)16-9-7-15(18)8-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyXWLRFINRWHHQNW-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.73
Rot. Bonds6

About 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1131211) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1131211
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-3-5-14(6-4-13)11-19-17(21)12-20(24(2,22)23)16-9-7-15(18)8-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyXWLRFINRWHHQNW-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide 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 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 1131211) is 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is XWLRFINRWHHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-3-5-14(6-4-13)11-19-17(21)12-20(24(2,22)23)16-9-7-15(18)8-10-16/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 366.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1131211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).