2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide

C12H7F5N2O4S2 — CID 10597208

IUPAC2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C12H7F5N2O4S2/c13-7-8(14)10(16)12(11(17)9(7)15)25(22,23)19-5-1-3-6(4-2-5)24(18,20)21/h1-4,19H,(H2,18,20,21)
InChIKeyQSOZOPZCFGEEJO-UHFFFAOYSA-N
MW402.32 g/mol
LogP1.83
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 10597208) has the molecular formula C12H7F5N2O4S2 and a molecular weight of 402.32 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID10597208
Molecular FormulaC12H7F5N2O4S2
Molecular Weight402.32 g/mol
Exact Mass401.98
IUPAC Name2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C12H7F5N2O4S2/c13-7-8(14)10(16)12(11(17)9(7)15)25(22,23)19-5-1-3-6(4-2-5)24(18,20)21/h1-4,19H,(H2,18,20,21)
InChIKeyQSOZOPZCFGEEJO-UHFFFAOYSA-N
XLogP1.83
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Sulfanilamide
CID 5333
Dapsone
CID 2955
Sulfathiourea
CID 3000579
Sulfabenz
CID 31390
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
4-Fluoro-N-phenylbenzenesulfonamide
CID 67559
4-Amino-3-fluorobenzene-1-sulfonamide
CID 4687472
4-Iodosulfanilanilide
CID 247908
Disulphane
CID 68351
Benzenesulfonanilide
CID 74296
4-Methanesulfonylamino-benzenesulfonamide
CID 2837872
4-Amino-N-hydroxybenzenesulfonamide
CID 240910

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 10597208) is 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is QSOZOPZCFGEEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O4S2/c13-7-8(14)10(16)12(11(17)9(7)15)25(22,23)19-5-1-3-6(4-2-5)24(18,20)21/h1-4,19H,(H2,18,20,21).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 402.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 10597208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).