(4-bromophenyl)-(4-methylsulfonylphenyl)methanone

C14H11BrO3S — CID 21262853

IUPAC(4-bromophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChIKeyMDJBMCZZYBLPTR-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.08
Rot. Bonds3

About (4-bromophenyl)-(4-methylsulfonylphenyl)methanone

(4-bromophenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 21262853) has the molecular formula C14H11BrO3S and a molecular weight of 339.21 g/mol. Its IUPAC name is (4-bromophenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID21262853
Molecular FormulaC14H11BrO3S
Molecular Weight339.21 g/mol
Exact Mass337.96
IUPAC Name(4-bromophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChIKeyMDJBMCZZYBLPTR-UHFFFAOYSA-N
XLogP3.08
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (4-bromophenyl)-(4-methylsulfonylphenyl)methanone (CID 21262853) is (4-bromophenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is MDJBMCZZYBLPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3S/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-bromophenyl)-(4-methylsulfonylphenyl)methanone?
(4-bromophenyl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 339.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 21262853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).