2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone

C14H11BrO3S — CID 689074

IUPAC2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyJWHMVCXCZLETGB-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.11
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone

2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone (PubChem CID 689074) has the molecular formula C14H11BrO3S and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone
PubChem CID689074
Molecular FormulaC14H11BrO3S
Molecular Weight339.21 g/mol
Exact Mass337.96
IUPAC Name2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyJWHMVCXCZLETGB-UHFFFAOYSA-N
XLogP3.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
CID 97654
2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
1-[4-(Benzenesulfonyl)phenyl]ethan-1-one
CID 265878
1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone
CID 1483401
Benzenecarbothioic acid, S-(4-bromophenyl) ester
CID 34164
3-((4-Bromophenyl)sulfonyl)-1-(4-methylphenyl)-1-propanone
CID 3705881
Mls002920051
CID 279561
2-Bromo-9H-thioxanthen-9-one 10,10-dioxide
CID 318102
(2E)-1-(4-bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5285183
(4-Bromophenyl)(4-(methylsulfonyl)phenyl)methanone
CID 21262853
(E)-1-(4-bromophenyl)-2-(4-methylphenyl)sulfanyl-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 24957806

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone (CID 689074) is 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone?
The InChIKey is JWHMVCXCZLETGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone?
2-(benzenesulfonyl)-1-(4-bromophenyl)ethanone has a molecular weight of 339.21 g/mol, XLogP of 3.11, 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-bromophenyl)ethanone is sourced from PubChem (CID 689074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).