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

C13H12FNO3S — CID 81241392

IUPACN-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C13H12FNO3S/c1-9-6-7-11(10(14)8-9)15-19(17,18)13-5-3-2-4-12(13)16/h2-8,15-16H,1H3
InChIKeyCBFGOANRMNLQLR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.64
Rot. Bonds3

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

N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 81241392) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID81241392
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C13H12FNO3S/c1-9-6-7-11(10(14)8-9)15-19(17,18)13-5-3-2-4-12(13)16/h2-8,15-16H,1H3
InChIKeyCBFGOANRMNLQLR-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-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 43256631
2-hydroxy-4-methyl-N-phenylbenzenesulfonamide
CID 173356701
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide (CID 81241392) is N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2O)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is CBFGOANRMNLQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c1-9-6-7-11(10(14)8-9)15-19(17,18)13-5-3-2-4-12(13)16/h2-8,15-16H,1H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide?
N-(2-fluoro-4-methylphenyl)-2-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)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81241392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).