4-acetylbenzenesulfinamide

C8H9NO2S — CID 142320769

IUPAC4-acetylbenzenesulfinamide
SMILESCC(=O)c1ccc(S(N)=O)cc1
InChIInChI=1S/C8H9NO2S/c1-6(10)7-2-4-8(5-3-7)12(9)11/h2-5H,9H2,1H3
InChIKeyCGXFXPKBJDUDBR-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.87
Rot. Bonds2

About 4-acetylbenzenesulfinamide

4-acetylbenzenesulfinamide (PubChem CID 142320769) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-acetylbenzenesulfinamide.

Molecular Properties

Compound Name4-acetylbenzenesulfinamide
PubChem CID142320769
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name4-acetylbenzenesulfinamide
SMILESCC(=O)c1ccc(S(N)=O)cc1
InChIInChI=1S/C8H9NO2S/c1-6(10)7-2-4-8(5-3-7)12(9)11/h2-5H,9H2,1H3
InChIKeyCGXFXPKBJDUDBR-UHFFFAOYSA-N
XLogP0.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-aminosulfanylphenyl)ethanone
CID 129026728
1-(4-arsanylphenyl)ethanone
CID 173138956
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-(4-tert-butylsulfonylphenyl)ethanone
CID 21402495
1-(4-aminosulfanylphenyl)ethanone;ethane
CID 142198565
4-acetylbenzoyl chloride;benzene-1,3,5-tricarbonyl chloride
CID 161034366
N-(4-acetylphenyl)-4-chlorobenzenesulfinamide
CID 577763
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438

Frequently Asked Questions

What is the IUPAC name of 4-acetylbenzenesulfinamide?
The IUPAC name of 4-acetylbenzenesulfinamide (CID 142320769) is 4-acetylbenzenesulfinamide.
What is the SMILES notation for 4-acetylbenzenesulfinamide?
The canonical SMILES for 4-acetylbenzenesulfinamide is CC(=O)c1ccc(S(N)=O)cc1.
What is the InChIKey of 4-acetylbenzenesulfinamide?
The InChIKey is CGXFXPKBJDUDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-6(10)7-2-4-8(5-3-7)12(9)11/h2-5H,9H2,1H3.
What are the key properties of 4-acetylbenzenesulfinamide?
4-acetylbenzenesulfinamide has a molecular weight of 183.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylbenzenesulfinamide is sourced from PubChem (CID 142320769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).