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

C11H15F3N2O3S — CID 60959937

IUPACN-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H15F3N2O3S/c1-8(2)6-16(7-11(12,13)14)20(18,19)9-3-4-10(17)15-5-9/h3-5,8H,6-7H2,1-2H3,(H,15,17)
InChIKeyKCIVOZXYMXSETA-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.58
Rot. Bonds5

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

N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (PubChem CID 60959937) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
PubChem CID60959937
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC NameN-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H15F3N2O3S/c1-8(2)6-16(7-11(12,13)14)20(18,19)9-3-4-10(17)15-5-9/h3-5,8H,6-7H2,1-2H3,(H,15,17)
InChIKeyKCIVOZXYMXSETA-UHFFFAOYSA-N
XLogP1.58
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide (CID 60959937) is N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is KCIVOZXYMXSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-8(2)6-16(7-11(12,13)14)20(18,19)9-3-4-10(17)15-5-9/h3-5,8H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide?
N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60959937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).