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

C14H19F2NO3S — CID 65110379

IUPAC1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NCC2(O)CCCCC2)cc1)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-13(16)21(19,20)12-6-4-11(5-7-12)17-10-14(18)8-2-1-3-9-14/h4-7,13,17-18H,1-3,8-10H2
InChIKeyOQPYBWXZUDBCSV-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.79
Rot. Bonds5

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

1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 65110379) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
PubChem CID65110379
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NCC2(O)CCCCC2)cc1)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-13(16)21(19,20)12-6-4-11(5-7-12)17-10-14(18)8-2-1-3-9-14/h4-7,13,17-18H,1-3,8-10H2
InChIKeyOQPYBWXZUDBCSV-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline
CID 63821978
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924
4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline
CID 133345973
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
2-amino-4-[(1-hydroxycycloheptyl)methylamino]benzenesulfonamide
CID 79466711
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566
4-(difluoromethylsulfonyl)-N-(3,3-dimethylbutyl)aniline
CID 60966150
1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol
CID 126846856
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16572718
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol (CID 65110379) is 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol is O=S(=O)(c1ccc(NCC2(O)CCCCC2)cc1)C(F)F.
What is the InChIKey of 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is OQPYBWXZUDBCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c15-13(16)21(19,20)12-6-4-11(5-7-12)17-10-14(18)8-2-1-3-9-14/h4-7,13,17-18H,1-3,8-10H2.
What are the key properties of 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol?
1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 319.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65110379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).