N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C19H12ClF4N3O2S — CID 156859626

IUPACN-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)Nc2ccc(Cl)cc2)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H12ClF4N3O2S/c20-11-1-3-12(4-2-11)27-30(29)17-9-13(5-6-16(17)21)26-18(28)14-10-25-8-7-15(14)19(22,23)24/h1-10,27H,(H,26,28)
InChIKeyJKOQNCZSOPJATK-UHFFFAOYSA-N
MW457.84 g/mol
LogP5.28
Rot. Bonds5

About N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 156859626) has the molecular formula C19H12ClF4N3O2S and a molecular weight of 457.84 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID156859626
Molecular FormulaC19H12ClF4N3O2S
Molecular Weight457.84 g/mol
Exact Mass457.03
IUPAC NameN-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)Nc2ccc(Cl)cc2)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H12ClF4N3O2S/c20-11-1-3-12(4-2-11)27-30(29)17-9-13(5-6-16(17)21)26-18(28)14-10-25-8-7-15(14)19(22,23)24/h1-10,27H,(H,26,28)
InChIKeyJKOQNCZSOPJATK-UHFFFAOYSA-N
XLogP5.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
N-(3,5-difluoro-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 122158437
4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270765
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide
CID 170632931
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 156859626) is N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(S(=O)Nc2ccc(Cl)cc2)c1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JKOQNCZSOPJATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N3O2S/c20-11-1-3-12(4-2-11)27-30(29)17-9-13(5-6-16(17)21)26-18(28)14-10-25-8-7-15(14)19(22,23)24/h1-10,27H,(H,26,28).
What are the key properties of N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 457.84 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 156859626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).