4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

C15H14F3N3O3S — CID 40665030

IUPAC4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)10-20-14(22)11-4-6-13(7-5-11)25(23,24)21-9-12-3-1-2-8-19-12/h1-8,21H,9-10H2,(H,20,22)
InChIKeyUBGAPLVFUKKENO-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.85
Rot. Bonds6

About 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 40665030) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID40665030
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)10-20-14(22)11-4-6-13(7-5-11)25(23,24)21-9-12-3-1-2-8-19-12/h1-8,21H,9-10H2,(H,20,22)
InChIKeyUBGAPLVFUKKENO-UHFFFAOYSA-N
XLogP1.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47083607
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
N-(3-fluorophenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060896
N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059990
tert-butyl 7-[[4-(pyridin-2-ylmethylsulfamoyl)benzoyl]amino]heptanoate
CID 170959729
N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059644
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 40665030) is 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UBGAPLVFUKKENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c16-15(17,18)10-20-14(22)11-4-6-13(7-5-11)25(23,24)21-9-12-3-1-2-8-19-12/h1-8,21H,9-10H2,(H,20,22).
What are the key properties of 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 373.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 40665030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).