1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide

C7H7F3N2O4S2 — CID 135320022

IUPAC1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide
SMILESNS(=O)(=O)C(F)(F)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C7H7F3N2O4S2/c8-5-1-3-6(4-2-5)12-18(15,16)7(9,10)17(11,13)14/h1-4,12H,(H2,11,13,14)
InChIKeyFFEWZZHMXDVXFD-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.41
Rot. Bonds4

About 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide

1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide (PubChem CID 135320022) has the molecular formula C7H7F3N2O4S2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide
PubChem CID135320022
Molecular FormulaC7H7F3N2O4S2
Molecular Weight304.27 g/mol
Exact Mass303.98
IUPAC Name1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide
SMILESNS(=O)(=O)C(F)(F)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C7H7F3N2O4S2/c8-5-1-3-6(4-2-5)12-18(15,16)7(9,10)17(11,13)14/h1-4,12H,(H2,11,13,14)
InChIKeyFFEWZZHMXDVXFD-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43602626
N,N'-bis(4-fluorophenyl)methanedisulfonamide
CID 90121489
1-(sulfamoylamino)-4-(trifluoromethyl)benzene
CID 10421755
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
1-arsanyl-4-(sulfamoylamino)benzene
CID 173270316
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
2-[4-(trifluoromethylsulfonylamino)phenyl]prop-2-enamide
CID 162554213
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide?
The IUPAC name of 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide (CID 135320022) is 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide.
What is the SMILES notation for 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide?
The canonical SMILES for 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide is NS(=O)(=O)C(F)(F)S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide?
The InChIKey is FFEWZZHMXDVXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4S2/c8-5-1-3-6(4-2-5)12-18(15,16)7(9,10)17(11,13)14/h1-4,12H,(H2,11,13,14).
What are the key properties of 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide?
1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide has a molecular weight of 304.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide is sourced from PubChem (CID 135320022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).