3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

C21H18F3N3O4S — CID 55712137

IUPAC3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18F3N3O4S/c22-21(23,24)14-31-19-10-9-17(13-25-19)27-20(28)16-7-4-8-18(11-16)32(29,30)26-12-15-5-2-1-3-6-15/h1-11,13,26H,12,14H2,(H,27,28)
InChIKeyVEFYWKLCDSIIQG-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.75
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (PubChem CID 55712137) has the molecular formula C21H18F3N3O4S and a molecular weight of 465.45 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
PubChem CID55712137
Molecular FormulaC21H18F3N3O4S
Molecular Weight465.45 g/mol
Exact Mass465.10
IUPAC Name3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H18F3N3O4S/c22-21(23,24)14-31-19-10-9-17(13-25-19)27-20(28)16-7-4-8-18(11-16)32(29,30)26-12-15-5-2-1-3-6-15/h1-11,13,26H,12,14H2,(H,27,28)
InChIKeyVEFYWKLCDSIIQG-UHFFFAOYSA-N
XLogP3.75
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705667
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 34424924
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55635317
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
CID 55711975
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24610745
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2096209

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (CID 55712137) is 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The InChIKey is VEFYWKLCDSIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4S/c22-21(23,24)14-31-19-10-9-17(13-25-19)27-20(28)16-7-4-8-18(11-16)32(29,30)26-12-15-5-2-1-3-6-15/h1-11,13,26H,12,14H2,(H,27,28).
What are the key properties of 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide has a molecular weight of 465.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 55712137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).