1-(4-chlorophenyl)sulfonylpropan-2-one

C9H9ClO3S — CID 521269

IUPAC1-(4-chlorophenyl)sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKeyBRDBHPZILGTBFY-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.70
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonylpropan-2-one

1-(4-chlorophenyl)sulfonylpropan-2-one (PubChem CID 521269) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpropan-2-one
PubChem CID521269
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name1-(4-chlorophenyl)sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKeyBRDBHPZILGTBFY-UHFFFAOYSA-N
XLogP1.70
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)sulfonylpropan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpropan-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpropan-2-one (CID 521269) is 1-(4-chlorophenyl)sulfonylpropan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpropan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpropan-2-one is CC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpropan-2-one?
The InChIKey is BRDBHPZILGTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonylpropan-2-one?
1-(4-chlorophenyl)sulfonylpropan-2-one has a molecular weight of 232.69 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpropan-2-one is sourced from PubChem (CID 521269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).