N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C11H15F3N2O3S — CID 75453643

IUPACN-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H15F3N2O3S/c1-8(5-6-19-2)16-20(17,18)9-3-4-10(15-7-9)11(12,13)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyKVJGICFYJANVNR-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.80
Rot. Bonds6

About N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75453643) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75453643
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC NameN-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H15F3N2O3S/c1-8(5-6-19-2)16-20(17,18)9-3-4-10(15-7-9)11(12,13)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyKVJGICFYJANVNR-UHFFFAOYSA-N
XLogP1.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75453643) is N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is COCCC(C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is KVJGICFYJANVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-8(5-6-19-2)16-20(17,18)9-3-4-10(15-7-9)11(12,13)14/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75453643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).