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

C21H22F2O3S — CID 153404234

IUPAC4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(-c2ccc(F)cc2F)cc1)C1(C2CCC(O)CC2)CC1
InChIInChI=1S/C21H22F2O3S/c22-16-5-10-19(20(23)13-16)14-1-8-18(9-2-14)27(25,26)21(11-12-21)15-3-6-17(24)7-4-15/h1-2,5,8-10,13,15,17,24H,3-4,6-7,11-12H2
InChIKeyFWYVCSOTVWNOKY-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.49
Rot. Bonds4

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

4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol (PubChem CID 153404234) has the molecular formula C21H22F2O3S and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol
PubChem CID153404234
Molecular FormulaC21H22F2O3S
Molecular Weight392.47 g/mol
Exact Mass392.13
IUPAC Name4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(-c2ccc(F)cc2F)cc1)C1(C2CCC(O)CC2)CC1
InChIInChI=1S/C21H22F2O3S/c22-16-5-10-19(20(23)13-16)14-1-8-18(9-2-14)27(25,26)21(11-12-21)15-3-6-17(24)7-4-15/h1-2,5,8-10,13,15,17,24H,3-4,6-7,11-12H2
InChIKeyFWYVCSOTVWNOKY-UHFFFAOYSA-N
XLogP4.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-cyclohexanol
CID 11494770
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-phenylbutan-1-ol
CID 101481379
2,2-Bis(benzenesulfonyl)-1-cyclohexyl-2-fluoroethanol
CID 101783929
1,1-Bis(benzenesulfonyl)-1-fluoro-4-phenylbutan-2-ol
CID 101783932
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-(2-fluorophenyl)butan-1-ol
CID 135055116
5,5-Bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol
CID 135070954
(R)-3-fluoro-3-phenyl-8-tosyloctan-1-ol
CID 138375715
(2R,3S)-2-(4-tert-butylphenyl)sulfonyl-3-fluoro-3-phenylpropan-1-ol
CID 154713335

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol?
The IUPAC name of 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol (CID 153404234) is 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol is O=S(=O)(c1ccc(-c2ccc(F)cc2F)cc1)C1(C2CCC(O)CC2)CC1.
What is the InChIKey of 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol?
The InChIKey is FWYVCSOTVWNOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2O3S/c22-16-5-10-19(20(23)13-16)14-1-8-18(9-2-14)27(25,26)21(11-12-21)15-3-6-17(24)7-4-15/h1-2,5,8-10,13,15,17,24H,3-4,6-7,11-12H2.
What are the key properties of 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol?
4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol has a molecular weight of 392.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]cyclohexan-1-ol is sourced from PubChem (CID 153404234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).