4-chloro-N-methyl-N-phenacylbenzenesulfonamide

C15H14ClNO3S — CID 58597544

IUPAC4-chloro-N-methyl-N-phenacylbenzenesulfonamide
SMILESCN(CC(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-17(11-15(18)12-5-3-2-4-6-12)21(19,20)14-9-7-13(16)8-10-14/h2-10H,11H2,1H3
InChIKeyXRLRSDFRRXYMAU-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.84
Rot. Bonds5

About 4-chloro-N-methyl-N-phenacylbenzenesulfonamide

4-chloro-N-methyl-N-phenacylbenzenesulfonamide (PubChem CID 58597544) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-phenacylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-phenacylbenzenesulfonamide
PubChem CID58597544
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name4-chloro-N-methyl-N-phenacylbenzenesulfonamide
SMILESCN(CC(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-17(11-15(18)12-5-3-2-4-6-12)21(19,20)14-9-7-13(16)8-10-14/h2-10H,11H2,1H3
InChIKeyXRLRSDFRRXYMAU-UHFFFAOYSA-N
XLogP2.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-methyl-N-phenacylbenzenesulfonamide 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

4-chloro-N-methyl-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597499
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
4-chloro-N-(3,3-dimethyl-2-oxobutyl)-N-methylbenzenesulfonamide
CID 171725644
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
[2-(4-methylphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2339654
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 40778693
4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
4-chloro-N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]benzenesulfonamide
CID 155193001
N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
CID 138760798
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-phenacylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-phenacylbenzenesulfonamide (CID 58597544) is 4-chloro-N-methyl-N-phenacylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-phenacylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-phenacylbenzenesulfonamide is CN(CC(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-phenacylbenzenesulfonamide?
The InChIKey is XRLRSDFRRXYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-17(11-15(18)12-5-3-2-4-6-12)21(19,20)14-9-7-13(16)8-10-14/h2-10H,11H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-phenacylbenzenesulfonamide?
4-chloro-N-methyl-N-phenacylbenzenesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-phenacylbenzenesulfonamide is sourced from PubChem (CID 58597544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).