(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone

C14H10BrFO3S — CID 79735532

IUPAC(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H10BrFO3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)10-5-6-13(16)12(15)8-10/h2-8H,1H3
InChIKeyVSMPOMWVWYXJDW-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.22
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone

(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone (PubChem CID 79735532) has the molecular formula C14H10BrFO3S and a molecular weight of 357.20 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
PubChem CID79735532
Molecular FormulaC14H10BrFO3S
Molecular Weight357.20 g/mol
Exact Mass355.95
IUPAC Name(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H10BrFO3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)10-5-6-13(16)12(15)8-10/h2-8H,1H3
InChIKeyVSMPOMWVWYXJDW-UHFFFAOYSA-N
XLogP3.22
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 114973502
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
CID 43344607
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(3-methylsulfonylbenzoyl)azanium
CID 163693398
(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
CID 43338379
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114964032

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone (CID 79735532) is (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone?
The InChIKey is VSMPOMWVWYXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)10-5-6-13(16)12(15)8-10/h2-8H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone?
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone has a molecular weight of 357.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 79735532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).