3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one

C16H15ClO3S — CID 4091559

IUPAC3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3S/c1-12-2-4-13(5-3-12)16(18)10-11-21(19,20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3
InChIKeyAGTDEVRMJDHEOL-UHFFFAOYSA-N
MW322.81 g/mol
LogP3.70
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one

3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one (PubChem CID 4091559) has the molecular formula C16H15ClO3S and a molecular weight of 322.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one
PubChem CID4091559
Molecular FormulaC16H15ClO3S
Molecular Weight322.81 g/mol
Exact Mass322.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3S/c1-12-2-4-13(5-3-12)16(18)10-11-21(19,20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3
InChIKeyAGTDEVRMJDHEOL-UHFFFAOYSA-N
XLogP3.70
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)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

1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethanone
CID 586971
2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
1-(3,4-Dichlorophenyl)-2-(phenylsulfonyl)-1-ethanone
CID 1483443
Substituted chalcone, 5p
CID 8446625
3-((4-Fluorophenyl)sulfonyl)-1-(4-methylphenyl)-1-propanone
CID 4626060
1-(4-Chlorophenyl)-3-(phenylthio)-2-propen-1-one
CID 5653953
2-(3,5-Dichloro-phenyl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 9821264
(E)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]-3-(3,5-dimethylphenyl)prop-2-en-1-one
CID 52943256
(E)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 52946858
(E)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 52946899
(E)-1-(4-chlorophenyl)-3-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfonyl]prop-2-en-1-one
CID 52950171

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one (CID 4091559) is 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
The InChIKey is AGTDEVRMJDHEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3S/c1-12-2-4-13(5-3-12)16(18)10-11-21(19,20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one has a molecular weight of 322.81 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 4091559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).