4-chloro-N-phenacylbenzenesulfonamide

C14H12ClNO3S — CID 16726071

IUPAC4-chloro-N-phenacylbenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyXCXCDJANVXRMHQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.50
Rot. Bonds5

About 4-chloro-N-phenacylbenzenesulfonamide

4-chloro-N-phenacylbenzenesulfonamide (PubChem CID 16726071) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-chloro-N-phenacylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-phenacylbenzenesulfonamide
PubChem CID16726071
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name4-chloro-N-phenacylbenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyXCXCDJANVXRMHQ-UHFFFAOYSA-N
XLogP2.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
N-(4-chlorophenyl)sulfonylbenzamide
CID 286220
4-Chloro-N-(2-chlorobenzoyl)benzenesulfonamide
CID 975893
3-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11174891
N-(4-chlorobenzenesulfonyl)-2-methylbenzamide
CID 11266872
3-chloro-N-(phenylsulfonyl)benzamide
CID 777284
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 2740747
4-methyl-N-(2-oxo-2-phenylethyl)benzenesulfonamide
CID 2306777
3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11331282
4-chloro-N-[2-(4-chlorophenyl)acetyl]benzene-sulfonamide
CID 24179332
3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide
CID 167534705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenacylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-phenacylbenzenesulfonamide (CID 16726071) is 4-chloro-N-phenacylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-phenacylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-phenacylbenzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-phenacylbenzenesulfonamide?
The InChIKey is XCXCDJANVXRMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2.
What are the key properties of 4-chloro-N-phenacylbenzenesulfonamide?
4-chloro-N-phenacylbenzenesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenacylbenzenesulfonamide is sourced from PubChem (CID 16726071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).