N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide

C11H14F3NO3S — CID 79041071

IUPACN-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C11H14F3NO3S/c1-7(2)6-19(17,18)15-9-5-8(11(12,13)14)3-4-10(9)16/h3-5,7,15-16H,6H2,1-2H3
InChIKeyJLGSEAMQFDQYEW-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.81
Rot. Bonds4

About N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide

N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide (PubChem CID 79041071) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide
PubChem CID79041071
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC NameN-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C11H14F3NO3S/c1-7(2)6-19(17,18)15-9-5-8(11(12,13)14)3-4-10(9)16/h3-5,7,15-16H,6H2,1-2H3
InChIKeyJLGSEAMQFDQYEW-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide
CID 81434171
methyl 3-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfamoyl]propanoate
CID 81198714
N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 64786303
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
1-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 83086802
N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
CID 81198712
4-fluoro-3-(2-methylpropylsulfonylamino)benzoic acid
CID 63000374
3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79026156
N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide
CID 64794598
(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 103930266
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide (CID 79041071) is N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide?
The InChIKey is JLGSEAMQFDQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-7(2)6-19(17,18)15-9-5-8(11(12,13)14)3-4-10(9)16/h3-5,7,15-16H,6H2,1-2H3.
What are the key properties of N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide?
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79041071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).