4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol

C13H16F3NO3S — CID 43415386

IUPAC4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1NC1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)21(19,20)12-4-2-1-3-11(12)17-9-5-7-10(18)8-6-9/h1-4,9-10,17-18H,5-8H2
InChIKeyDLKIALCIHJLAIO-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.70
Rot. Bonds3

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

4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol (PubChem CID 43415386) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol
PubChem CID43415386
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1NC1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)21(19,20)12-4-2-1-3-11(12)17-9-5-7-10(18)8-6-9/h1-4,9-10,17-18H,5-8H2
InChIKeyDLKIALCIHJLAIO-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1,1-Difluoroethylsulfanyl)anilino]cyclohexan-1-ol
CID 58118135
trans-4-(4-Trifluoromethylsulfanyl-phenylamino)-cyclohexanol
CID 66852287
1-[4-[4-(Trifluoromethylsulfonyl)anilino]cyclohexyl]oxypropan-2-one
CID 90163117
N-[4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclohexyl]-4-(trifluoromethylsulfanyl)aniline
CID 143820626
N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline
CID 146532141
[4-[4-(Trifluoromethylsulfonyl)anilino]cyclohexyl] acetate
CID 154232254
1-[(3R)-4-phenylsulfanyl-3-[2-(trifluoromethylsulfonyl)anilino]butyl]azetidin-3-ol
CID 156690513
4-[[(1S,3S)-3-hydroxycyclopentyl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 170329785
3-[4-[4-(Trifluoromethylsulfonyl)anilino]cyclohexyl]oxypropanal
CID 174902723
4-[4-(Trifluoromethylsulfonyl)anilino]cyclohexan-1-ol
CID 40043089
N-cyclohexyl-2-(trifluoromethylsulfonyl)aniline
CID 43427565
2-[2-(Trifluoromethylsulfonyl)anilino]ethanol
CID 43427571

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol (CID 43415386) is 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol is O=S(=O)(c1ccccc1NC1CCC(O)CC1)C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol?
The InChIKey is DLKIALCIHJLAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c14-13(15,16)21(19,20)12-4-2-1-3-11(12)17-9-5-7-10(18)8-6-9/h1-4,9-10,17-18H,5-8H2.
What are the key properties of 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol?
4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol has a molecular weight of 323.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethylsulfonyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 43415386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).