6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide

C15H13F3N2O5S — CID 67866037

IUPAC6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(CO)nc1
InChIInChI=1S/C15H13F3N2O5S/c16-15(17,18)9-25-12-3-5-13(6-4-12)26(23,24)20-14(22)10-1-2-11(8-21)19-7-10/h1-7,21H,8-9H2,(H,20,22)
InChIKeyFQWLFLONDDLOQC-UHFFFAOYSA-N
MW390.34 g/mol
LogP1.63
Rot. Bonds6

About 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide

6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide (PubChem CID 67866037) has the molecular formula C15H13F3N2O5S and a molecular weight of 390.34 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
PubChem CID67866037
Molecular FormulaC15H13F3N2O5S
Molecular Weight390.34 g/mol
Exact Mass390.05
IUPAC Name6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(CO)nc1
InChIInChI=1S/C15H13F3N2O5S/c16-15(17,18)9-25-12-3-5-13(6-4-12)26(23,24)20-14(22)10-1-2-11(8-21)19-7-10/h1-7,21H,8-9H2,(H,20,22)
InChIKeyFQWLFLONDDLOQC-UHFFFAOYSA-N
XLogP1.63
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide (CID 67866037) is 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(CO)nc1.
What is the InChIKey of 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is FQWLFLONDDLOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O5S/c16-15(17,18)9-25-12-3-5-13(6-4-12)26(23,24)20-14(22)10-1-2-11(8-21)19-7-10/h1-7,21H,8-9H2,(H,20,22).
What are the key properties of 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide?
6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 67866037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).