N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C11H12F3N5O2S — CID 84601039

IUPACN-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CCn1cnnc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H12F3N5O2S/c1-18(4-5-19-7-16-17-8-19)22(20,21)9-2-3-10(15-6-9)11(12,13)14/h2-3,6-8H,4-5H2,1H3
InChIKeyIEKHETDAPQNBPH-UHFFFAOYSA-N
MW335.31 g/mol
LogP1.01
Rot. Bonds5

About N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 84601039) has the molecular formula C11H12F3N5O2S and a molecular weight of 335.31 g/mol. Its IUPAC name is N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID84601039
Molecular FormulaC11H12F3N5O2S
Molecular Weight335.31 g/mol
Exact Mass335.07
IUPAC NameN-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CCn1cnnc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H12F3N5O2S/c1-18(4-5-19-7-16-17-8-19)22(20,21)9-2-3-10(15-6-9)11(12,13)14/h2-3,6-8H,4-5H2,1H3
InChIKeyIEKHETDAPQNBPH-UHFFFAOYSA-N
XLogP1.01
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 84601039) is N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is CN(CCn1cnnc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is IEKHETDAPQNBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2S/c1-18(4-5-19-7-16-17-8-19)22(20,21)9-2-3-10(15-6-9)11(12,13)14/h2-3,6-8H,4-5H2,1H3.
What are the key properties of N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 335.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 84601039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).