6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide

C13H8ClF3N2O4S — CID 23002410

IUPAC6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(Cl)n1
InChIInChI=1S/C13H8ClF3N2O4S/c14-11-7-3-4-8(18-11)12(20)19-24(21,22)10-6-2-1-5-9(10)23-13(15,16)17/h1-7H,(H,19,20)
InChIKeyFNABZUHBJBHOGJ-UHFFFAOYSA-N
MW380.73 g/mol
LogP2.75
Rot. Bonds4

About 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide

6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide (PubChem CID 23002410) has the molecular formula C13H8ClF3N2O4S and a molecular weight of 380.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
PubChem CID23002410
Molecular FormulaC13H8ClF3N2O4S
Molecular Weight380.73 g/mol
Exact Mass379.98
IUPAC Name6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(Cl)n1
InChIInChI=1S/C13H8ClF3N2O4S/c14-11-7-3-4-8(18-11)12(20)19-24(21,22)10-6-2-1-5-9(10)23-13(15,16)17/h1-7H,(H,19,20)
InChIKeyFNABZUHBJBHOGJ-UHFFFAOYSA-N
XLogP2.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide (CID 23002410) is 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
The InChIKey is FNABZUHBJBHOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O4S/c14-11-7-3-4-8(18-11)12(20)19-24(21,22)10-6-2-1-5-9(10)23-13(15,16)17/h1-7H,(H,19,20).
What are the key properties of 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide?
6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide has a molecular weight of 380.73 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide is sourced from PubChem (CID 23002410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).