N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide

C12H14F3NO4S — CID 81198712

IUPACN-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1O)C1CCOCC1
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)8-1-2-11(17)10(7-8)16-21(18,19)9-3-5-20-6-4-9/h1-2,7,9,16-17H,3-6H2
InChIKeyCBHWXQSPFHFLQL-UHFFFAOYSA-N
MW325.31 g/mol
LogP2.33
Rot. Bonds3

About N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide

N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide (PubChem CID 81198712) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
PubChem CID81198712
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1O)C1CCOCC1
InChIInChI=1S/C12H14F3NO4S/c13-12(14,15)8-1-2-11(17)10(7-8)16-21(18,19)9-3-5-20-6-4-9/h1-2,7,9,16-17H,3-6H2
InChIKeyCBHWXQSPFHFLQL-UHFFFAOYSA-N
XLogP2.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide 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-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 79041071
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166186395
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 96569116
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 81198677
3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79026156
methyl 3-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfamoyl]propanoate
CID 81198714
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785843

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide (CID 81198712) is N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)C1CCOCC1.
What is the InChIKey of N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide?
The InChIKey is CBHWXQSPFHFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c13-12(14,15)8-1-2-11(17)10(7-8)16-21(18,19)9-3-5-20-6-4-9/h1-2,7,9,16-17H,3-6H2.
What are the key properties of N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide?
N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide has a molecular weight of 325.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide is sourced from PubChem (CID 81198712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).