[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene

C15H14F2O2S — CID 11335440

IUPAC[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)CCc1ccccc1
InChIInChI=1S/C15H14F2O2S/c16-15(17,12-11-13-7-3-1-4-8-13)20(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyRPLGWHWMYUCAKL-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.69
Rot. Bonds5

About [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene

[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene (PubChem CID 11335440) has the molecular formula C15H14F2O2S and a molecular weight of 296.34 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene
PubChem CID11335440
Molecular FormulaC15H14F2O2S
Molecular Weight296.34 g/mol
Exact Mass296.07
IUPAC Name[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)CCc1ccccc1
InChIInChI=1S/C15H14F2O2S/c16-15(17,12-11-13-7-3-1-4-8-13)20(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyRPLGWHWMYUCAKL-UHFFFAOYSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1,1-difluoroheptyl)sulfonylbenzene
CID 163297693
sulfuryl dichloride;3,3,3-trifluoropropylbenzene
CID 174656156
[4-(benzenesulfonyl)-4-(trifluoromethyl)heptyl]benzene
CID 71474831
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
ethane;trifluoromethylsulfonylbenzene
CID 144556552
(benzenesulfonyl-fluoro-iodomethyl)sulfonylbenzene
CID 132518084
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
CID 141041544
4-(3,3,3-trifluoropropyl)benzenesulfonic acid
CID 22621208
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
triiodomethylsulfonylbenzene
CID 22887646
benzene;tribromomethylsulfonylbenzene
CID 70302042
2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene?
The IUPAC name of [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene (CID 11335440) is [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene.
What is the SMILES notation for [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene?
The canonical SMILES for [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene is O=S(=O)(c1ccccc1)C(F)(F)CCc1ccccc1.
What is the InChIKey of [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene?
The InChIKey is RPLGWHWMYUCAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2S/c16-15(17,12-11-13-7-3-1-4-8-13)20(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene?
[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene has a molecular weight of 296.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-3,3-difluoropropyl]benzene is sourced from PubChem (CID 11335440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).