[benzenesulfonyl(difluoro)methyl]cyclooctane

C15H20F2O2S — CID 163297759

IUPAC[benzenesulfonyl(difluoro)methyl]cyclooctane
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1CCCCCCC1
InChIInChI=1S/C15H20F2O2S/c16-15(17,13-9-5-2-1-3-6-10-13)20(18,19)14-11-7-4-8-12-14/h4,7-8,11-13H,1-3,5-6,9-10H2
InChIKeyLNUZSJHXVMLNKT-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.41
Rot. Bonds3

About [benzenesulfonyl(difluoro)methyl]cyclooctane

[benzenesulfonyl(difluoro)methyl]cyclooctane (PubChem CID 163297759) has the molecular formula C15H20F2O2S and a molecular weight of 302.39 g/mol. Its IUPAC name is [benzenesulfonyl(difluoro)methyl]cyclooctane.

Molecular Properties

Compound Name[benzenesulfonyl(difluoro)methyl]cyclooctane
PubChem CID163297759
Molecular FormulaC15H20F2O2S
Molecular Weight302.39 g/mol
Exact Mass302.12
IUPAC Name[benzenesulfonyl(difluoro)methyl]cyclooctane
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1CCCCCCC1
InChIInChI=1S/C15H20F2O2S/c16-15(17,13-9-5-2-1-3-6-10-13)20(18,19)14-11-7-4-8-12-14/h4,7-8,11-13H,1-3,5-6,9-10H2
InChIKeyLNUZSJHXVMLNKT-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Benzenesulfonyl)-4,4-difluoro-1-phenylbutyl]benzene
CID 12155713
[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene
CID 101481699
1,1-Difluoro-4-phenylbutyl Phenyl Sulfone
CID 11716550
Cyclohexylmethylsulfonylbenzene
CID 12116736
1,1-Difluoro-5-phenylpentyl Phenyl Sulfone
CID 11529906
1,1-Difluorooctylphenyl sulfone
CID 11580147
[7-(Benzenesulfonyl)-7,7-difluoroheptyl]benzene
CID 12155712
1,1-Difluorohexylphenyl sulfone
CID 12158448
[6-(Benzenesulfonyl)-6,6-difluorohexyl]benzene
CID 12158452
2-(4-Methylphenyl)-1-phenylsulfonyl-1,1,2-trifluoroethane
CID 14291997
[1-(Benzenesulfonyl)-2,2-difluoroethenyl]benzene
CID 10755183
[(Z)-1-(benzenesulfonyl)-1,3,3,3-tetrafluoroprop-1-en-2-yl]benzene
CID 15544524

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(difluoro)methyl]cyclooctane?
The IUPAC name of [benzenesulfonyl(difluoro)methyl]cyclooctane (CID 163297759) is [benzenesulfonyl(difluoro)methyl]cyclooctane.
What is the SMILES notation for [benzenesulfonyl(difluoro)methyl]cyclooctane?
The canonical SMILES for [benzenesulfonyl(difluoro)methyl]cyclooctane is O=S(=O)(c1ccccc1)C(F)(F)C1CCCCCCC1.
What is the InChIKey of [benzenesulfonyl(difluoro)methyl]cyclooctane?
The InChIKey is LNUZSJHXVMLNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2S/c16-15(17,13-9-5-2-1-3-6-10-13)20(18,19)14-11-7-4-8-12-14/h4,7-8,11-13H,1-3,5-6,9-10H2.
What are the key properties of [benzenesulfonyl(difluoro)methyl]cyclooctane?
[benzenesulfonyl(difluoro)methyl]cyclooctane has a molecular weight of 302.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(difluoro)methyl]cyclooctane is sourced from PubChem (CID 163297759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).