N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C13H8Cl2F3N3O3S — CID 56502448

IUPACN-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESNc1c(Cl)cc(NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8Cl2F3N3O3S/c14-8-4-6(5-9(15)10(8)19)21-11(22)7-2-1-3-20-12(7)25(23,24)13(16,17)18/h1-5H,19H2,(H,21,22)
InChIKeyAPYKJGTZHCXZQU-UHFFFAOYSA-N
MW414.19 g/mol
LogP3.52
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 56502448) has the molecular formula C13H8Cl2F3N3O3S and a molecular weight of 414.19 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID56502448
Molecular FormulaC13H8Cl2F3N3O3S
Molecular Weight414.19 g/mol
Exact Mass412.96
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESNc1c(Cl)cc(NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8Cl2F3N3O3S/c14-8-4-6(5-9(15)10(8)19)21-11(22)7-2-1-3-20-12(7)25(23,24)13(16,17)18/h1-5H,19H2,(H,21,22)
InChIKeyAPYKJGTZHCXZQU-UHFFFAOYSA-N
XLogP3.52
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.19
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 39042283
2-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154038
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500916
2-[(4-amino-3-bromo-5-chlorophenyl)carbamoyl]benzoate
CID 3340445
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56502575
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 56502448) is N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is Nc1c(Cl)cc(NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is APYKJGTZHCXZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O3S/c14-8-4-6(5-9(15)10(8)19)21-11(22)7-2-1-3-20-12(7)25(23,24)13(16,17)18/h1-5H,19H2,(H,21,22).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 414.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 56502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).