[1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene

C14H10F2O2S — CID 10755183

IUPAC[1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene
SMILESO=S(=O)(C(=C(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10F2O2S/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10H
InChIKeyRMEOUYLQEYEIAB-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.73
Rot. Bonds3

About [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene

[1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene (PubChem CID 10755183) has the molecular formula C14H10F2O2S and a molecular weight of 280.30 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene
PubChem CID10755183
Molecular FormulaC14H10F2O2S
Molecular Weight280.30 g/mol
Exact Mass280.04
IUPAC Name[1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene
SMILESO=S(=O)(C(=C(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10F2O2S/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10H
InChIKeyRMEOUYLQEYEIAB-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyl sulfone
CID 31386
SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Dibenzyl sulfone
CID 69282
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
Phenyl trans-Styryl Sulfone
CID 736143
p-Tolyl methyl sulfone
CID 18521

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene?
The IUPAC name of [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene (CID 10755183) is [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene.
What is the SMILES notation for [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene?
The canonical SMILES for [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene is O=S(=O)(C(=C(F)F)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene?
The InChIKey is RMEOUYLQEYEIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2S/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10H.
What are the key properties of [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene?
[1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene has a molecular weight of 280.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2,2-difluoroethenyl]benzene is sourced from PubChem (CID 10755183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).