3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide

C12H9ClFNO4S — CID 139011372

IUPAC3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1F)c1cccc(Cl)c1O
InChIInChI=1S/C12H9ClFNO4S/c13-7-3-1-6-10(12(7)17)20(18,19)15-8-4-2-5-9(16)11(8)14/h1-6,15-17H
InChIKeyFGGOKPJCOCRWCI-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.69
Rot. Bonds3

About 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide

3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 139011372) has the molecular formula C12H9ClFNO4S and a molecular weight of 317.73 g/mol. Its IUPAC name is 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
PubChem CID139011372
Molecular FormulaC12H9ClFNO4S
Molecular Weight317.73 g/mol
Exact Mass316.99
IUPAC Name3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1F)c1cccc(Cl)c1O
InChIInChI=1S/C12H9ClFNO4S/c13-7-3-1-6-10(12(7)17)20(18,19)15-8-4-2-5-9(16)11(8)14/h1-6,15-17H
InChIKeyFGGOKPJCOCRWCI-UHFFFAOYSA-N
XLogP2.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 167916373
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
CID 81433625
N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 75393186
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027238
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide (CID 139011372) is 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cccc(O)c1F)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is FGGOKPJCOCRWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4S/c13-7-3-1-6-10(12(7)17)20(18,19)15-8-4-2-5-9(16)11(8)14/h1-6,15-17H.
What are the key properties of 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide?
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 317.73 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 139011372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).