2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide

C7H7F3N2O4S2 — CID 61132903

IUPAC2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H7F3N2O4S2/c8-4-1-2-6(17(11,13)14)5(3-4)12-18(15,16)7(9)10/h1-3,7,12H,(H2,11,13,14)
InChIKeyUZUBIUGXJRELTQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.44
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide

2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide (PubChem CID 61132903) has the molecular formula C7H7F3N2O4S2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
PubChem CID61132903
Molecular FormulaC7H7F3N2O4S2
Molecular Weight304.27 g/mol
Exact Mass303.98
IUPAC Name2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H7F3N2O4S2/c8-4-1-2-6(17(11,13)14)5(3-4)12-18(15,16)7(9)10/h1-3,7,12H,(H2,11,13,14)
InChIKeyUZUBIUGXJRELTQ-UHFFFAOYSA-N
XLogP0.44
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfonylamino)benzenesulfonamide
CID 61132086
4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63855523
2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82685246
2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42644607
4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 43246875
4-fluoro-2-iodobenzenesulfonamide
CID 112729762
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
N-(5-fluoro-2-sulfamoylphenyl)butanamide
CID 61130555
N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide
CID 64794598
N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 61130912
N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111
N-(5-fluoro-2-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65215733

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide (CID 61132903) is 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide?
The InChIKey is UZUBIUGXJRELTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4S2/c8-4-1-2-6(17(11,13)14)5(3-4)12-18(15,16)7(9)10/h1-3,7,12H,(H2,11,13,14).
What are the key properties of 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide?
2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide has a molecular weight of 304.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61132903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).