4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol

C18H17ClF2O3S — CID 11494770

IUPAC4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(O)CC1
InChIInChI=1S/C18H17ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11,14,22H,7-10H2
InChIKeyRCTIQFHQOVGEJY-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.22
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol

4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol (PubChem CID 11494770) has the molecular formula C18H17ClF2O3S and a molecular weight of 386.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol
PubChem CID11494770
Molecular FormulaC18H17ClF2O3S
Molecular Weight386.85 g/mol
Exact Mass386.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(O)CC1
InChIInChI=1S/C18H17ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11,14,22H,7-10H2
InChIKeyRCTIQFHQOVGEJY-UHFFFAOYSA-N
XLogP4.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.22
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)cyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol (CID 11494770) is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol is O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol?
The InChIKey is RCTIQFHQOVGEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11,14,22H,7-10H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol?
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-ol has a molecular weight of 386.85 g/mol, XLogP of 4.22, 3 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)cyclohexan-1-ol is sourced from PubChem (CID 11494770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).