5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C10H10F4N2O3S — CID 65373702

IUPAC5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(C(=O)NCC(F)(F)F)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H10F4N2O3S/c1-5-7(9(17)16-4-10(12,13)14)2-6(11)3-8(5)20(15,18)19/h2-3H,4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKBGLRBRGCWIPJQ-UHFFFAOYSA-N
MW314.26 g/mol
LogP1.07
Rot. Bonds3

About 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 65373702) has the molecular formula C10H10F4N2O3S and a molecular weight of 314.26 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID65373702
Molecular FormulaC10H10F4N2O3S
Molecular Weight314.26 g/mol
Exact Mass314.03
IUPAC Name5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(C(=O)NCC(F)(F)F)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H10F4N2O3S/c1-5-7(9(17)16-4-10(12,13)14)2-6(11)3-8(5)20(15,18)19/h2-3H,4H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKBGLRBRGCWIPJQ-UHFFFAOYSA-N
XLogP1.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735
5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373796
5-fluoro-2-methyl-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398199
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65388478
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869
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
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 65373702) is 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1c(C(=O)NCC(F)(F)F)cc(F)cc1S(N)(=O)=O.
What is the InChIKey of 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KBGLRBRGCWIPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O3S/c1-5-7(9(17)16-4-10(12,13)14)2-6(11)3-8(5)20(15,18)19/h2-3H,4H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 314.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 65373702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).