3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide

C12H10F2N2O4S2 — CID 75526090

IUPAC3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O4S2/c13-9-6-5-8(7-10(9)14)22(19,20)16-11-3-1-2-4-12(11)21(15,17)18/h1-7,16H,(H2,15,17,18)
InChIKeyIGMAJVLVLONPOH-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.41
Rot. Bonds4

About 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide

3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide (PubChem CID 75526090) has the molecular formula C12H10F2N2O4S2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
PubChem CID75526090
Molecular FormulaC12H10F2N2O4S2
Molecular Weight348.35 g/mol
Exact Mass348.01
IUPAC Name3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O4S2/c13-9-6-5-8(7-10(9)14)22(19,20)16-11-3-1-2-4-12(11)21(15,17)18/h1-7,16H,(H2,15,17,18)
InChIKeyIGMAJVLVLONPOH-UHFFFAOYSA-N
XLogP1.41
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 47060111
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3832524
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide (CID 75526090) is 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is IGMAJVLVLONPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4S2/c13-9-6-5-8(7-10(9)14)22(19,20)16-11-3-1-2-4-12(11)21(15,17)18/h1-7,16H,(H2,15,17,18).
What are the key properties of 3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide?
3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 348.35 g/mol, XLogP of 1.41, 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-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 75526090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).