[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol

C19H19ClF2O3S — CID 23590946

IUPAC[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(CO)CC1
InChIInChI=1S/C19H19ClF2O3S/c20-14-1-4-16(5-2-14)26(24,25)19(9-7-13(12-23)8-10-19)17-11-15(21)3-6-18(17)22/h1-6,11,13,23H,7-10,12H2
InChIKeyOFQZHYHOSSQSPA-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.47
Rot. Bonds4

About [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol

[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol (PubChem CID 23590946) has the molecular formula C19H19ClF2O3S and a molecular weight of 400.87 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol
PubChem CID23590946
Molecular FormulaC19H19ClF2O3S
Molecular Weight400.87 g/mol
Exact Mass400.07
IUPAC Name[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(CO)CC1
InChIInChI=1S/C19H19ClF2O3S/c20-14-1-4-16(5-2-14)26(24,25)19(9-7-13(12-23)8-10-19)17-11-15(21)3-6-18(17)22/h1-6,11,13,23H,7-10,12H2
InChIKeyOFQZHYHOSSQSPA-UHFFFAOYSA-N
XLogP4.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol?
The IUPAC name of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol (CID 23590946) is [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol?
The canonical SMILES for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol is O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(CO)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol?
The InChIKey is OFQZHYHOSSQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2O3S/c20-14-1-4-16(5-2-14)26(24,25)19(9-7-13(12-23)8-10-19)17-11-15(21)3-6-18(17)22/h1-6,11,13,23H,7-10,12H2.
What are the key properties of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol?
[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol has a molecular weight of 400.87 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methanol is sourced from PubChem (CID 23590946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).