2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C11H16F3N3O2S — CID 65427020

IUPAC2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H16F3N3O2S/c1-8(2)6-17(7-11(12,13)14)20(18,19)9-4-3-5-16-10(9)15/h3-5,8H,6-7H2,1-2H3,(H2,15,16)
InChIKeyXJIQXRYHVPBFQH-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 65427020) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID65427020
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H16F3N3O2S/c1-8(2)6-17(7-11(12,13)14)20(18,19)9-4-3-5-16-10(9)15/h3-5,8H,6-7H2,1-2H3,(H2,15,16)
InChIKeyXJIQXRYHVPBFQH-UHFFFAOYSA-N
XLogP1.87
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 65427020) is 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is XJIQXRYHVPBFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-8(2)6-17(7-11(12,13)14)20(18,19)9-4-3-5-16-10(9)15/h3-5,8H,6-7H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 65427020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).