6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide

C10H13F3N2O3S — CID 60959935

IUPAC6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H13F3N2O3S/c1-2-5-15(7-10(11,12)13)19(17,18)8-3-4-9(16)14-6-8/h3-4,6H,2,5,7H2,1H3,(H,14,16)
InChIKeyIDOGRJHTTCAKII-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.34
Rot. Bonds5

About 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide

6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (PubChem CID 60959935) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
PubChem CID60959935
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H13F3N2O3S/c1-2-5-15(7-10(11,12)13)19(17,18)8-3-4-9(16)14-6-8/h3-4,6H,2,5,7H2,1H3,(H,14,16)
InChIKeyIDOGRJHTTCAKII-UHFFFAOYSA-N
XLogP1.34
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (CID 60959935) is 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is IDOGRJHTTCAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-2-5-15(7-10(11,12)13)19(17,18)8-3-4-9(16)14-6-8/h3-4,6H,2,5,7H2,1H3,(H,14,16).
What are the key properties of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60959935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).