N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide

C11H15F3N2O3S2 — CID 126803191

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1cccnc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O3S2/c1-7(8(6-17)20-2)16-21(18,19)9-4-3-5-15-10(9)11(12,13)14/h3-5,7-8,16-17H,6H2,1-2H3
InChIKeyNTOUYGLZWFIUMP-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.49
Rot. Bonds6

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 126803191) has the molecular formula C11H15F3N2O3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID126803191
Molecular FormulaC11H15F3N2O3S2
Molecular Weight344.38 g/mol
Exact Mass344.05
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1cccnc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O3S2/c1-7(8(6-17)20-2)16-21(18,19)9-4-3-5-15-10(9)11(12,13)14/h3-5,7-8,16-17H,6H2,1-2H3
InChIKeyNTOUYGLZWFIUMP-UHFFFAOYSA-N
XLogP1.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide (CID 126803191) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide is CSC(CO)C(C)NS(=O)(=O)c1cccnc1C(F)(F)F.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is NTOUYGLZWFIUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S2/c1-7(8(6-17)20-2)16-21(18,19)9-4-3-5-15-10(9)11(12,13)14/h3-5,7-8,16-17H,6H2,1-2H3.
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 344.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 126803191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).