2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one

C15H13ClO3S — CID 62916858

IUPAC2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13ClO3S/c1-11(15(17)12-7-9-13(16)10-8-12)20(18,19)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyVZXCABKPTGDPRP-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.39
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one

2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one (PubChem CID 62916858) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
PubChem CID62916858
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13ClO3S/c1-11(15(17)12-7-9-13(16)10-8-12)20(18,19)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyVZXCABKPTGDPRP-UHFFFAOYSA-N
XLogP3.39
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one 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

2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-iodoethanone
CID 102574143
2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
CID 64644275
[1-(benzenesulfonyl)-2-(4-chlorophenyl)-2-oxoethyl] 4-methylbenzenesulfonate
CID 12002946
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
2-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)propanamide
CID 78761153
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64641558
2-methyl-1-[4-(3-oxobutan-2-ylsulfonyl)phenyl]propan-1-one
CID 82164962
2-(4-chlorophenyl)sulfonyl-3-methylbutanoic acid
CID 15130541
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
1-(4-chlorophenyl)-2-(2-hydroxyphenyl)propan-1-one
CID 102075278

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one (CID 62916858) is 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one is CC(C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is VZXCABKPTGDPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-11(15(17)12-7-9-13(16)10-8-12)20(18,19)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one?
2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 308.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 62916858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).