2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide

C16H17ClN2O3S — CID 1119910

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-18-16(20)12-19(11-13-5-3-2-4-6-13)23(21,22)15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyIUWMTIDQKYZRKM-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.28
Rot. Bonds6

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 1119910) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide
PubChem CID1119910
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-18-16(20)12-19(11-13-5-3-2-4-6-13)23(21,22)15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyIUWMTIDQKYZRKM-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide 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-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide (CID 1119910) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is IUWMTIDQKYZRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-18-16(20)12-19(11-13-5-3-2-4-6-13)23(21,22)15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 352.84 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 1119910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).