2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide

C12H8F3NO3S — CID 71975700

IUPAC2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)c1cccc(F)c1F
InChIInChI=1S/C12H8F3NO3S/c13-7-4-5-10(17)9(6-7)16-20(18,19)11-3-1-2-8(14)12(11)15/h1-6,16-17H
InChIKeyNIPIEJKSSJYUKH-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.61
Rot. Bonds3

About 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide

2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 71975700) has the molecular formula C12H8F3NO3S and a molecular weight of 303.26 g/mol. Its IUPAC name is 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID71975700
Molecular FormulaC12H8F3NO3S
Molecular Weight303.26 g/mol
Exact Mass303.02
IUPAC Name2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)c1cccc(F)c1F
InChIInChI=1S/C12H8F3NO3S/c13-7-4-5-10(17)9(6-7)16-20(18,19)11-3-1-2-8(14)12(11)15/h1-6,16-17H
InChIKeyNIPIEJKSSJYUKH-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.61
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-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 64794952
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
2-amino-N-(2,4-difluorophenyl)-3-fluorobenzenesulfonamide
CID 62058440
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 29099021
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide (CID 71975700) is 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is NIPIEJKSSJYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3S/c13-7-4-5-10(17)9(6-7)16-20(18,19)11-3-1-2-8(14)12(11)15/h1-6,16-17H.
What are the key properties of 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 303.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 71975700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).