N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide

C9H12FNO3S — CID 64794598

IUPACN-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(F)ccc1O
InChIInChI=1S/C9H12FNO3S/c1-6(2)15(13,14)11-8-5-7(10)3-4-9(8)12/h3-6,11-12H,1-2H3
InChIKeyCBCUGLMGNMGIJK-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.68
Rot. Bonds3

About N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide

N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide (PubChem CID 64794598) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide
PubChem CID64794598
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(F)ccc1O
InChIInChI=1S/C9H12FNO3S/c1-6(2)15(13,14)11-8-5-7(10)3-4-9(8)12/h3-6,11-12H,1-2H3
InChIKeyCBCUGLMGNMGIJK-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.68
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)propane-2-sulfonamide
CID 81434079
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]propane-2-sulfonamide
CID 60864580
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 71975700
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
CID 61132903
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide (CID 64794598) is N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(F)ccc1O.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide?
The InChIKey is CBCUGLMGNMGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-6(2)15(13,14)11-8-5-7(10)3-4-9(8)12/h3-6,11-12H,1-2H3.
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide?
N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide has a molecular weight of 233.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 64794598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).