[cyclohexyl(difluoro)methyl]sulfonylbenzene

C13H16F2O2S — CID 163297762

IUPAC[cyclohexyl(difluoro)methyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1CCCCC1
InChIInChI=1S/C13H16F2O2S/c14-13(15,11-7-3-1-4-8-11)18(16,17)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeySFSMGAVZPDIEJG-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds3

About [cyclohexyl(difluoro)methyl]sulfonylbenzene

[cyclohexyl(difluoro)methyl]sulfonylbenzene (PubChem CID 163297762) has the molecular formula C13H16F2O2S and a molecular weight of 274.33 g/mol. Its IUPAC name is [cyclohexyl(difluoro)methyl]sulfonylbenzene.

Molecular Properties

Compound Name[cyclohexyl(difluoro)methyl]sulfonylbenzene
PubChem CID163297762
Molecular FormulaC13H16F2O2S
Molecular Weight274.33 g/mol
Exact Mass274.08
IUPAC Name[cyclohexyl(difluoro)methyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)(F)C1CCCCC1
InChIInChI=1S/C13H16F2O2S/c14-13(15,11-7-3-1-4-8-11)18(16,17)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeySFSMGAVZPDIEJG-UHFFFAOYSA-N
XLogP3.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Phenyl trans-Styryl Sulfone
CID 736143
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
1,4-Difluoro-2-(1-(phenylsulfonyl)cyclohexyl)benzene
CID 44400878
[(2-Phenylethyl)sulfonyl]benzene
CID 2832910
1-Methyl-4-((trifluoromethyl)sulfonyl)benzene
CID 882246
1-Methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]benzene
CID 2743789

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(difluoro)methyl]sulfonylbenzene?
The IUPAC name of [cyclohexyl(difluoro)methyl]sulfonylbenzene (CID 163297762) is [cyclohexyl(difluoro)methyl]sulfonylbenzene.
What is the SMILES notation for [cyclohexyl(difluoro)methyl]sulfonylbenzene?
The canonical SMILES for [cyclohexyl(difluoro)methyl]sulfonylbenzene is O=S(=O)(c1ccccc1)C(F)(F)C1CCCCC1.
What is the InChIKey of [cyclohexyl(difluoro)methyl]sulfonylbenzene?
The InChIKey is SFSMGAVZPDIEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2S/c14-13(15,11-7-3-1-4-8-11)18(16,17)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2.
What are the key properties of [cyclohexyl(difluoro)methyl]sulfonylbenzene?
[cyclohexyl(difluoro)methyl]sulfonylbenzene has a molecular weight of 274.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(difluoro)methyl]sulfonylbenzene is sourced from PubChem (CID 163297762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).