2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C9H7F5N2O3S — CID 62091869

IUPAC2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)F)c1F
InChIInChI=1S/C9H7F5N2O3S/c10-4-1-2-5(20(15,18)19)7(11)6(4)8(17)16-3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyWXOWOBRGEPFXGY-UHFFFAOYSA-N
MW318.22 g/mol
LogP0.90
Rot. Bonds3

About 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62091869) has the molecular formula C9H7F5N2O3S and a molecular weight of 318.22 g/mol. Its IUPAC name is 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62091869
Molecular FormulaC9H7F5N2O3S
Molecular Weight318.22 g/mol
Exact Mass318.01
IUPAC Name2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)F)c1F
InChIInChI=1S/C9H7F5N2O3S/c10-4-1-2-5(20(15,18)19)7(11)6(4)8(17)16-3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyWXOWOBRGEPFXGY-UHFFFAOYSA-N
XLogP0.90
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374272
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
CID 63374883
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370091
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478500

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 62091869) is 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is NS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)F)c1F.
What is the InChIKey of 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WXOWOBRGEPFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3S/c10-4-1-2-5(20(15,18)19)7(11)6(4)8(17)16-3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 318.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62091869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).