4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol

C19H20F2O3S — CID 58344231

IUPAC4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(CC1CCC(O)CC1)c1ccc(-c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H20F2O3S/c20-15-5-10-19(21)18(11-15)14-3-8-17(9-4-14)25(23,24)12-13-1-6-16(22)7-2-13/h3-5,8-11,13,16,22H,1-2,6-7,12H2
InChIKeyXQESQNGNRNMXBQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.96
Rot. Bonds4

About 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol

4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol (PubChem CID 58344231) has the molecular formula C19H20F2O3S and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
PubChem CID58344231
Molecular FormulaC19H20F2O3S
Molecular Weight366.43 g/mol
Exact Mass366.11
IUPAC Name4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(CC1CCC(O)CC1)c1ccc(-c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H20F2O3S/c20-15-5-10-19(21)18(11-15)14-3-8-17(9-4-14)25(23,24)12-13-1-6-16(22)7-2-13/h3-5,8-11,13,16,22H,1-2,6-7,12H2
InChIKeyXQESQNGNRNMXBQ-UHFFFAOYSA-N
XLogP3.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol (CID 58344231) is 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol is O=S(=O)(CC1CCC(O)CC1)c1ccc(-c2cc(F)ccc2F)cc1.
What is the InChIKey of 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
The InChIKey is XQESQNGNRNMXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O3S/c20-15-5-10-19(21)18(11-15)14-3-8-17(9-4-14)25(23,24)12-13-1-6-16(22)7-2-13/h3-5,8-11,13,16,22H,1-2,6-7,12H2.
What are the key properties of 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol has a molecular weight of 366.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 58344231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).