2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide

C13H11F2NO4S — CID 102695776

IUPAC2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C13H11F2NO4S/c1-20-9-3-4-11(12(17)7-9)16-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,16-17H,1H3
InChIKeyBRNBRZHUXBWBQF-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.48
Rot. Bonds4

About 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide

2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide (PubChem CID 102695776) has the molecular formula C13H11F2NO4S and a molecular weight of 315.30 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
PubChem CID102695776
Molecular FormulaC13H11F2NO4S
Molecular Weight315.30 g/mol
Exact Mass315.04
IUPAC Name2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C13H11F2NO4S/c1-20-9-3-4-11(12(17)7-9)16-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,16-17H,1H3
InChIKeyBRNBRZHUXBWBQF-UHFFFAOYSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide (CID 102695776) is 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(O)c1.
What is the InChIKey of 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is BRNBRZHUXBWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4S/c1-20-9-3-4-11(12(17)7-9)16-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,16-17H,1H3.
What are the key properties of 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 315.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 102695776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).