3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide

C15H14F3N3O5S — CID 174889373

IUPAC3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
SMILESCCONC(=O)c1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N
InChIInChI=1S/C15H14F3N3O5S/c1-2-25-21-14(22)13-12(19)7-11(8-20-13)27(23,24)10-5-3-9(4-6-10)26-15(16,17)18/h3-8H,2,19H2,1H3,(H,21,22)
InChIKeyCQIWZLDYSYFWQI-UHFFFAOYSA-N
MW405.35 g/mol
LogP2.08
Rot. Bonds6

About 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide

3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide (PubChem CID 174889373) has the molecular formula C15H14F3N3O5S and a molecular weight of 405.35 g/mol. Its IUPAC name is 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
PubChem CID174889373
Molecular FormulaC15H14F3N3O5S
Molecular Weight405.35 g/mol
Exact Mass405.06
IUPAC Name3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
SMILESCCONC(=O)c1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N
InChIInChI=1S/C15H14F3N3O5S/c1-2-25-21-14(22)13-12(19)7-11(8-20-13)27(23,24)10-5-3-9(4-6-10)26-15(16,17)18/h3-8H,2,19H2,1H3,(H,21,22)
InChIKeyCQIWZLDYSYFWQI-UHFFFAOYSA-N
XLogP2.08
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide 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

2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 158325201
5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 142750443
2-amino-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]sulfonyl-3-pyridinyl]ethanone
CID 175316640
methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
CID 163377018
N-tert-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonylaniline
CID 22358258
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine
CID 95483159
3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 43002106
ethyl 3-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoate
CID 2809519
5-methylsulfonyl-2-[4-(trifluoromethoxy)phenoxy]aniline
CID 167530156
methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
1-(2-ethoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301912

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide (CID 174889373) is 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide is CCONC(=O)c1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N.
What is the InChIKey of 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
The InChIKey is CQIWZLDYSYFWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O5S/c1-2-25-21-14(22)13-12(19)7-11(8-20-13)27(23,24)10-5-3-9(4-6-10)26-15(16,17)18/h3-8H,2,19H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide is sourced from PubChem (CID 174889373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).