N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide

C17H18ClNO3S — CID 2265253

IUPACN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-13-6-8-15(9-7-13)23(21,22)11-10-17(20)19-12-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGEZPFHJSPWQUNZ-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 2265253) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID2265253
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-13-6-8-15(9-7-13)23(21,22)11-10-17(20)19-12-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGEZPFHJSPWQUNZ-UHFFFAOYSA-N
XLogP3.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide 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-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 2265253) is N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is GEZPFHJSPWQUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-13-6-8-15(9-7-13)23(21,22)11-10-17(20)19-12-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 351.86 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 2265253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).