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

C9H8F4N2O3S — CID 60638089

IUPAC2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H8F4N2O3S/c10-7-2-1-5(19(14,17)18)3-6(7)8(16)15-4-9(11,12)13/h1-3H,4H2,(H,15,16)(H2,14,17,18)
InChIKeyCIQQQBSCAJWILZ-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.77
Rot. Bonds3

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

2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60638089) has the molecular formula C9H8F4N2O3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60638089
Molecular FormulaC9H8F4N2O3S
Molecular Weight300.23 g/mol
Exact Mass300.02
IUPAC Name2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H8F4N2O3S/c10-7-2-1-5(19(14,17)18)3-6(7)8(16)15-4-9(11,12)13/h1-3H,4H2,(H,15,16)(H2,14,17,18)
InChIKeyCIQQQBSCAJWILZ-UHFFFAOYSA-N
XLogP0.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65397043
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267
2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60638089) is 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is NS(=O)(=O)c1ccc(F)c(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CIQQQBSCAJWILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O3S/c10-7-2-1-5(19(14,17)18)3-6(7)8(16)15-4-9(11,12)13/h1-3H,4H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 300.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60638089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).