4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

C19H16F3N3O3S — CID 47083607

IUPAC4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)12-24-18(26)14-6-8-16(9-7-14)29(27,28)25-11-15-4-1-3-13-5-2-10-23-17(13)15/h1-10,25H,11-12H2,(H,24,26)
InChIKeyFXHBZTPJFHRJFK-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.01
Rot. Bonds6

About 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide

4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 47083607) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID47083607
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)12-24-18(26)14-6-8-16(9-7-14)29(27,28)25-11-15-4-1-3-13-5-2-10-23-17(13)15/h1-10,25H,11-12H2,(H,24,26)
InChIKeyFXHBZTPJFHRJFK-UHFFFAOYSA-N
XLogP3.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
4-[(3-ethoxyphenyl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913885
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60539338
4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 38257742
N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102693228
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 47083607) is 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FXHBZTPJFHRJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c20-19(21,22)12-24-18(26)14-6-8-16(9-7-14)29(27,28)25-11-15-4-1-3-13-5-2-10-23-17(13)15/h1-10,25H,11-12H2,(H,24,26).
What are the key properties of 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 423.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 47083607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).