2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide

C12H9F2NO3S — CID 4999798

IUPAC2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO3S/c13-8-1-6-12(11(14)7-8)19(17,18)15-9-2-4-10(16)5-3-9/h1-7,15-16H
InChIKeyJLOCDVFWZMJBEY-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.47
Rot. Bonds3

About 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide

2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 4999798) has the molecular formula C12H9F2NO3S and a molecular weight of 285.27 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID4999798
Molecular FormulaC12H9F2NO3S
Molecular Weight285.27 g/mol
Exact Mass285.03
IUPAC Name2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO3S/c13-8-1-6-12(11(14)7-8)19(17,18)15-9-2-4-10(16)5-3-9/h1-7,15-16H
InChIKeyJLOCDVFWZMJBEY-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide (CID 4999798) is 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is JLOCDVFWZMJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3S/c13-8-1-6-12(11(14)7-8)19(17,18)15-9-2-4-10(16)5-3-9/h1-7,15-16H.
What are the key properties of 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 285.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4999798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).