N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

C18H14F3N3O3S — CID 17476450

IUPACN-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc2ncccc12)c1cccc(S(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)11-23-28(26,27)13-5-1-4-12(10-13)17(25)24-16-8-2-7-15-14(16)6-3-9-22-15/h1-10,23H,11H2,(H,24,25)
InChIKeySIHGJAKDZDVVJT-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.33
Rot. Bonds5

About N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (PubChem CID 17476450) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
PubChem CID17476450
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC NameN-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc2ncccc12)c1cccc(S(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)11-23-28(26,27)13-5-1-4-12(10-13)17(25)24-16-8-2-7-15-14(16)6-3-9-22-15/h1-10,23H,11H2,(H,24,25)
InChIKeySIHGJAKDZDVVJT-UHFFFAOYSA-N
XLogP3.33
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
CID 42534314
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24536388
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17450702
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 30860581
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843
5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide
CID 30287242
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797

Frequently Asked Questions

What is the IUPAC name of N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The IUPAC name of N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (CID 17476450) is N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.
What is the SMILES notation for N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The canonical SMILES for N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is O=C(Nc1cccc2ncccc12)c1cccc(S(=O)(=O)NCC(F)(F)F)c1.
What is the InChIKey of N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The InChIKey is SIHGJAKDZDVVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c19-18(20,21)11-23-28(26,27)13-5-1-4-12(10-13)17(25)24-16-8-2-7-15-14(16)6-3-9-22-15/h1-10,23H,11H2,(H,24,25).
What are the key properties of N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide has a molecular weight of 409.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-5-yl-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is sourced from PubChem (CID 17476450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).