3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide

C9H12FNO3S — CID 138059785

IUPAC3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3
InChIKeyLKBBBHJDLZEYPN-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.22
Rot. Bonds3

About 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide

3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 138059785) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide
PubChem CID138059785
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3
InChIKeyLKBBBHJDLZEYPN-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82843638
methyl 2-[(3-amino-4-hydroxyphenyl)sulfonylamino]propanoate
CID 54959326
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580629
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide (CID 138059785) is 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LKBBBHJDLZEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3.
What are the key properties of 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide?
3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 138059785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).