N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide

C13H12FNO3S — CID 81258256

IUPACN-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(O)c2)c(F)c1
InChIInChI=1S/C13H12FNO3S/c1-9-5-6-13(12(14)7-9)15-19(17,18)11-4-2-3-10(16)8-11/h2-8,15-16H,1H3
InChIKeyGKMVGTXOSVXXIM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.64
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide

N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide (PubChem CID 81258256) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
PubChem CID81258256
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(O)c2)c(F)c1
InChIInChI=1S/C13H12FNO3S/c1-9-5-6-13(12(14)7-9)15-19(17,18)11-4-2-3-10(16)8-11/h2-8,15-16H,1H3
InChIKeyGKMVGTXOSVXXIM-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-3-hydroxybenzenesulfonamide
CID 81258697
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
3-fluoro-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 54937318
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 82719616
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide (CID 81258256) is N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(O)c2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
The InChIKey is GKMVGTXOSVXXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c1-9-5-6-13(12(14)7-9)15-19(17,18)11-4-2-3-10(16)8-11/h2-8,15-16H,1H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 81258256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).