N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide

C13H16F3NO3S — CID 104953174

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)9-5-1-4-8-12(9)21(19,20)17-10-6-2-3-7-11(10)18/h1,4-5,8,10-11,17-18H,2-3,6-7H2/t10-,11-/m0/s1
InChIKeyRMJGXGAXSXMYCE-QWRGUYRKSA-N
MW323.34 g/mol
LogP2.29
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 104953174) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID104953174
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)9-5-1-4-8-12(9)21(19,20)17-10-6-2-3-7-11(10)18/h1,4-5,8,10-11,17-18H,2-3,6-7H2/t10-,11-/m0/s1
InChIKeyRMJGXGAXSXMYCE-QWRGUYRKSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide
CID 104922343
N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 106584789
N-[(1S,2S)-2-hydroxycyclohexyl]-2-nitrobenzenesulfonamide
CID 101369255
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 124721813
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057
N'-[2-(trifluoromethyl)phenyl]sulfonylcyclopropanecarbohydrazide
CID 8523817

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide (CID 104953174) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RMJGXGAXSXMYCE-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c14-13(15,16)9-5-1-4-8-12(9)21(19,20)17-10-6-2-3-7-11(10)18/h1,4-5,8,10-11,17-18H,2-3,6-7H2/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 323.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 104953174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).