2-(difluoromethylsulfonylamino)benzenesulfonamide

C7H8F2N2O4S2 — CID 61132086

IUPAC2-(difluoromethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H8F2N2O4S2/c8-7(9)17(14,15)11-5-3-1-2-4-6(5)16(10,12)13/h1-4,7,11H,(H2,10,12,13)
InChIKeyDNEDXRABZSJYEM-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.30
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)benzenesulfonamide

2-(difluoromethylsulfonylamino)benzenesulfonamide (PubChem CID 61132086) has the molecular formula C7H8F2N2O4S2 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)benzenesulfonamide
PubChem CID61132086
Molecular FormulaC7H8F2N2O4S2
Molecular Weight286.28 g/mol
Exact Mass285.99
IUPAC Name2-(difluoromethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H8F2N2O4S2/c8-7(9)17(14,15)11-5-3-1-2-4-6(5)16(10,12)13/h1-4,7,11H,(H2,10,12,13)
InChIKeyDNEDXRABZSJYEM-UHFFFAOYSA-N
XLogP0.30
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
CID 61132903
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
CID 106293975
N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 43200301
1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide
CID 64792576
N-(2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607000
N-[2-(chloromethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 65030893
2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 75526090
2-[2-[2-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68787125
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 47060111

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)benzenesulfonamide (CID 61132086) is 2-(difluoromethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylamino)benzenesulfonamide?
The InChIKey is DNEDXRABZSJYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O4S2/c8-7(9)17(14,15)11-5-3-1-2-4-6(5)16(10,12)13/h1-4,7,11H,(H2,10,12,13).
What are the key properties of 2-(difluoromethylsulfonylamino)benzenesulfonamide?
2-(difluoromethylsulfonylamino)benzenesulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 61132086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).