4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide

C17H19ClN2O3S — CID 4661660

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
SMILESCN(CCCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-20(24(22,23)16-11-9-14(18)10-12-16)13-5-8-17(21)19-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,19,21)
InChIKeyFDLOSUHZKBHXDK-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.38
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide (PubChem CID 4661660) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
PubChem CID4661660
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
SMILESCN(CCCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-20(24(22,23)16-11-9-14(18)10-12-16)13-5-8-17(21)19-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,19,21)
InChIKeyFDLOSUHZKBHXDK-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Glyparamide
CID 246940
(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 2315573
N-(4-((2-Chloroanilino)sulfonyl)phenyl)acetamide
CID 607660
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 720082
N-[4-[methyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 974694
4-{2-[(4-chlorophenyl)sulfonyl]hydrazino}-4-oxo-N-phenylbutanamide
CID 1787636
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4881219
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide (CID 4661660) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide is CN(CCCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide?
The InChIKey is FDLOSUHZKBHXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-20(24(22,23)16-11-9-14(18)10-12-16)13-5-8-17(21)19-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,19,21).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide has a molecular weight of 366.87 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylbutanamide is sourced from PubChem (CID 4661660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).