4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol

C14H19F2NO3S — CID 106129965

IUPAC4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1NCC1CCC(O)CC1)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-14(16)21(19,20)13-4-2-1-3-12(13)17-9-10-5-7-11(18)8-6-10/h1-4,10-11,14,17-18H,5-9H2
InChIKeyQLVBRLIIQUCFKI-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.65
Rot. Bonds5

About 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol

4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 106129965) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
PubChem CID106129965
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1NCC1CCC(O)CC1)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-14(16)21(19,20)13-4-2-1-3-12(13)17-9-10-5-7-11(18)8-6-10/h1-4,10-11,14,17-18H,5-9H2
InChIKeyQLVBRLIIQUCFKI-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 106130341
2-(difluoromethylsulfonyl)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]aniline
CID 133300539
N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427667
3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
CID 103269700
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(difluoromethylsulfonyl)aniline
CID 133399525
3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403
N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427587
3-[2-(difluoromethylsulfonyl)anilino]-2-methoxypropanoic acid
CID 106108570
2-(difluoromethylsulfonyl)-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]aniline
CID 133332193
3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66177121
N-(thian-4-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 115625279
2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106126119

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol (CID 106129965) is 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol is O=S(=O)(c1ccccc1NCC1CCC(O)CC1)C(F)F.
What is the InChIKey of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is QLVBRLIIQUCFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c15-14(16)21(19,20)13-4-2-1-3-12(13)17-9-10-5-7-11(18)8-6-10/h1-4,10-11,14,17-18H,5-9H2.
What are the key properties of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 319.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106129965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).