N-(4-acetylphenyl)-4-chlorobenzenesulfinamide

C14H12ClNO2S — CID 577763

IUPACN-(4-acetylphenyl)-4-chlorobenzenesulfinamide
SMILESCC(=O)c1ccc(NS(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO2S/c1-10(17)11-2-6-13(7-3-11)16-19(18)14-8-4-12(15)5-9-14/h2-9,16H,1H3
InChIKeyDOKSYXUFEXIJFX-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.68
Rot. Bonds4

About N-(4-acetylphenyl)-4-chlorobenzenesulfinamide

N-(4-acetylphenyl)-4-chlorobenzenesulfinamide (PubChem CID 577763) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-chlorobenzenesulfinamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-chlorobenzenesulfinamide
PubChem CID577763
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC NameN-(4-acetylphenyl)-4-chlorobenzenesulfinamide
SMILESCC(=O)c1ccc(NS(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO2S/c1-10(17)11-2-6-13(7-3-11)16-19(18)14-8-4-12(15)5-9-14/h2-9,16H,1H3
InChIKeyDOKSYXUFEXIJFX-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-methylbenzenesulfinamide
CID 581510
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide
CID 76528850
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
(E)-3-(4-acetylanilino)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5409095
1-[4-(chloroamino)phenyl]ethanone
CID 140987111
4-chloro-N-methylbenzenesulfinamide
CID 143373382
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
4-chloro-2-deuterio-N-phenylbenzenesulfinamide
CID 12568382
4-acetylbenzenesulfinamide
CID 142320769

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-chlorobenzenesulfinamide?
The IUPAC name of N-(4-acetylphenyl)-4-chlorobenzenesulfinamide (CID 577763) is N-(4-acetylphenyl)-4-chlorobenzenesulfinamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-chlorobenzenesulfinamide?
The canonical SMILES for N-(4-acetylphenyl)-4-chlorobenzenesulfinamide is CC(=O)c1ccc(NS(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-chlorobenzenesulfinamide?
The InChIKey is DOKSYXUFEXIJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-10(17)11-2-6-13(7-3-11)16-19(18)14-8-4-12(15)5-9-14/h2-9,16H,1H3.
What are the key properties of N-(4-acetylphenyl)-4-chlorobenzenesulfinamide?
N-(4-acetylphenyl)-4-chlorobenzenesulfinamide has a molecular weight of 293.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-chlorobenzenesulfinamide is sourced from PubChem (CID 577763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).