2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

C15H12F4N2O3S — CID 8843582

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12F4N2O3S/c16-11-6-2-4-8-13(11)25(23,24)21-12-7-3-1-5-10(12)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22)
InChIKeyKAKRBQDTIOCCJO-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.92
Rot. Bonds5

About 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8843582) has the molecular formula C15H12F4N2O3S and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8843582
Molecular FormulaC15H12F4N2O3S
Molecular Weight376.33 g/mol
Exact Mass376.05
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12F4N2O3S/c16-11-6-2-4-8-13(11)25(23,24)21-12-7-3-1-5-10(12)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22)
InChIKeyKAKRBQDTIOCCJO-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38890994
2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784131
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
dimethyl 2-[[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24502350
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 8843607
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24502358
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 8843582) is 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KAKRBQDTIOCCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O3S/c16-11-6-2-4-8-13(11)25(23,24)21-12-7-3-1-5-10(12)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 376.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8843582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).