3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide

C13H11F2NO4S — CID 102695953

IUPAC3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C13H11F2NO4S/c1-20-8-2-5-12(13(17)6-8)16-21(18,19)9-3-4-10(14)11(15)7-9/h2-7,16-17H,1H3
InChIKeyHGMOWLVKDSJPJJ-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.48
Rot. Bonds4

About 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide

3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide (PubChem CID 102695953) has the molecular formula C13H11F2NO4S and a molecular weight of 315.30 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
PubChem CID102695953
Molecular FormulaC13H11F2NO4S
Molecular Weight315.30 g/mol
Exact Mass315.04
IUPAC Name3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C13H11F2NO4S/c1-20-8-2-5-12(13(17)6-8)16-21(18,19)9-3-4-10(14)11(15)7-9/h2-7,16-17H,1H3
InChIKeyHGMOWLVKDSJPJJ-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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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate
CID 2374438
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 103710408
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide
CID 102695858

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide (CID 102695953) is 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(O)c1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is HGMOWLVKDSJPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4S/c1-20-8-2-5-12(13(17)6-8)16-21(18,19)9-3-4-10(14)11(15)7-9/h2-7,16-17H,1H3.
What are the key properties of 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
3,4-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 3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 102695953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).