(4-chlorophenyl)-(4-methylsulfonylphenyl)methanone

C14H11ClO3S — CID 11748443

IUPAC(4-chlorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChIKeyGLXFJTWHBIOAOX-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.97
Rot. Bonds3

About (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone

(4-chlorophenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 11748443) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID11748443
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name(4-chlorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChIKeyGLXFJTWHBIOAOX-UHFFFAOYSA-N
XLogP2.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone (CID 11748443) is (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is GLXFJTWHBIOAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3.
What are the key properties of (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone?
(4-chlorophenyl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 294.76 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 11748443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).