5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide

C13H9ClF3N3O4S — CID 56684192

IUPAC5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)c1
InChIInChI=1S/C13H9ClF3N3O4S/c14-8-1-2-10(24-13(15,16)17)11(4-8)25(22,23)20-9-3-7(12(18)21)5-19-6-9/h1-6,20H,(H2,18,21)
InChIKeyCQUTZNUBABXTRE-UHFFFAOYSA-N
MW395.75 g/mol
LogP2.53
Rot. Bonds5

About 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide

5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide (PubChem CID 56684192) has the molecular formula C13H9ClF3N3O4S and a molecular weight of 395.75 g/mol. Its IUPAC name is 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide
PubChem CID56684192
Molecular FormulaC13H9ClF3N3O4S
Molecular Weight395.75 g/mol
Exact Mass395.00
IUPAC Name5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)c1
InChIInChI=1S/C13H9ClF3N3O4S/c14-8-1-2-10(24-13(15,16)17)11(4-8)25(22,23)20-9-3-7(12(18)21)5-19-6-9/h1-6,20H,(H2,18,21)
InChIKeyCQUTZNUBABXTRE-UHFFFAOYSA-N
XLogP2.53
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide (CID 56684192) is 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide is NC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)c1.
What is the InChIKey of 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
The InChIKey is CQUTZNUBABXTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O4S/c14-8-1-2-10(24-13(15,16)17)11(4-8)25(22,23)20-9-3-7(12(18)21)5-19-6-9/h1-6,20H,(H2,18,21).
What are the key properties of 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide has a molecular weight of 395.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 56684192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).