[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol

C14H19F2NO3S — CID 62519924

IUPAC[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
SMILESO=S(=O)(c1ccc(NC2(CO)CCCCC2)cc1)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-13(16)21(19,20)12-6-4-11(5-7-12)17-14(10-18)8-2-1-3-9-14/h4-7,13,17-18H,1-3,8-10H2
InChIKeyVUTNSDMITGNAHN-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.79
Rot. Bonds5

About [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol

[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol (PubChem CID 62519924) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
PubChem CID62519924
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
SMILESO=S(=O)(c1ccc(NC2(CO)CCCCC2)cc1)C(F)F
InChIInChI=1S/C14H19F2NO3S/c15-13(16)21(19,20)12-6-4-11(5-7-12)17-14(10-18)8-2-1-3-9-14/h4-7,13,17-18H,1-3,8-10H2
InChIKeyVUTNSDMITGNAHN-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

Analyze [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol?
The IUPAC name of [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol (CID 62519924) is [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol.
What is the SMILES notation for [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol?
The canonical SMILES for [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol is O=S(=O)(c1ccc(NC2(CO)CCCCC2)cc1)C(F)F.
What is the InChIKey of [1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol?
The InChIKey is VUTNSDMITGNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c15-13(16)21(19,20)12-6-4-11(5-7-12)17-14(10-18)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]cyclohexyl]methanol?
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol 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]cyclohexyl]methanol is sourced from PubChem (CID 62519924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).