2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol

C22H26F2O3S — CID 58344108

IUPAC2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C22H26F2O3S/c1-22(2,25)17-7-3-15(4-8-17)14-28(26,27)19-10-5-16(6-11-19)20-12-9-18(23)13-21(20)24/h5-6,9-13,15,17,25H,3-4,7-8,14H2,1-2H3
InChIKeyPLGVKGWKWCYHNW-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.98
Rot. Bonds5

About 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol

2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol (PubChem CID 58344108) has the molecular formula C22H26F2O3S and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol
PubChem CID58344108
Molecular FormulaC22H26F2O3S
Molecular Weight408.51 g/mol
Exact Mass408.16
IUPAC Name2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C22H26F2O3S/c1-22(2,25)17-7-3-15(4-8-17)14-28(26,27)19-10-5-16(6-11-19)20-12-9-18(23)13-21(20)24/h5-6,9-13,15,17,25H,3-4,7-8,14H2,1-2H3
InChIKeyPLGVKGWKWCYHNW-UHFFFAOYSA-N
XLogP4.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-2-[4-[2-(4-fluorophenyl)phenyl]sulfonylphenyl]propan-2-ol
CID 52946155
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
1-[(4-Methylphenyl)sulfonyl]-2-phenylpropan-2-ol
CID 15850358
3-Fluoro-4-[4-[(4-hydroxy-4-methylcyclohexyl)methylsulfonyl]phenyl]benzonitrile
CID 146397624
4-[[4-(2,4-Difluorophenyl)-2-(trifluoromethyl)phenyl]sulfonylmethyl]-1-methylcyclohexan-1-ol
CID 146397630
2-(Benzenesulfonyl)-2-fluoro-1,1-diphenylethanol
CID 13460269
(E)-1-(benzenesulfonyl)-1-fluoro-2,4-diphenylbut-3-en-2-ol
CID 102474227
2-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
CID 134849149
2-(4-Fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol
CID 134849150

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol (CID 58344108) is 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol?
The InChIKey is PLGVKGWKWCYHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O3S/c1-22(2,25)17-7-3-15(4-8-17)14-28(26,27)19-10-5-16(6-11-19)20-12-9-18(23)13-21(20)24/h5-6,9-13,15,17,25H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol?
2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol has a molecular weight of 408.51 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]propan-2-ol is sourced from PubChem (CID 58344108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).