N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H15F3N2O5S — CID 52636494

IUPACN-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-2-25-12-4-6-13(7-5-12)27(23,24)21-15(22)11-3-8-14(20-9-11)26-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyJDUUVGRZWQQSNU-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.54
Rot. Bonds7

About N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 52636494) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID52636494
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC NameN-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-2-25-12-4-6-13(7-5-12)27(23,24)21-15(22)11-3-8-14(20-9-11)26-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyJDUUVGRZWQQSNU-UHFFFAOYSA-N
XLogP2.54
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
CID 67866037
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970552
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705667
ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749124
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide
CID 146665893

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 52636494) is N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCOc1ccc(S(=O)(=O)NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is JDUUVGRZWQQSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-2-25-12-4-6-13(7-5-12)27(23,24)21-15(22)11-3-8-14(20-9-11)26-10-16(17,18)19/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 404.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 52636494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).