2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone

C14H11FO3S — CID 62917039

IUPAC2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C14H11FO3S/c15-13-9-5-4-8-12(13)14(16)10-19(17,18)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPQHNLRFWJCOISG-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.48
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone

2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone (PubChem CID 62917039) has the molecular formula C14H11FO3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
PubChem CID62917039
Molecular FormulaC14H11FO3S
Molecular Weight278.30 g/mol
Exact Mass278.04
IUPAC Name2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C14H11FO3S/c15-13-9-5-4-8-12(13)14(16)10-19(17,18)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPQHNLRFWJCOISG-UHFFFAOYSA-N
XLogP2.48
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
2-(benzenesulfonyl)-1-(1H-pyrrol-2-yl)ethanone
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3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914
2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
CID 64637514
4-(2-fluorophenyl)-2,4-dioxobutanoic acid
CID 23090222
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974035
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone
CID 64644445
2-(benzenesulfonylmethyl)prop-2-enoic acid
CID 14296318
1-(benzenesulfonyl)-3-chloropropan-2-one
CID 555621
1-(2-fluorophenyl)butane-1,3-dione
CID 15169784

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone (CID 62917039) is 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone?
The InChIKey is PQHNLRFWJCOISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3S/c15-13-9-5-4-8-12(13)14(16)10-19(17,18)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone?
2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone has a molecular weight of 278.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 62917039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).