2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C11H11F3N6O3S — CID 175774116

IUPAC2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)ccc2C(N)=O)n1
InChIInChI=1S/C11H11F3N6O3S/c1-20-18-9(17-19-20)5-24(22,23)4-7-6(10(15)21)2-3-8(16-7)11(12,13)14/h2-3H,4-5H2,1H3,(H2,15,21)
InChIKeyOUWJYKAPOSERQN-UHFFFAOYSA-N
MW364.31 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175774116) has the molecular formula C11H11F3N6O3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175774116
Molecular FormulaC11H11F3N6O3S
Molecular Weight364.31 g/mol
Exact Mass364.06
IUPAC Name2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)ccc2C(N)=O)n1
InChIInChI=1S/C11H11F3N6O3S/c1-20-18-9(17-19-20)5-24(22,23)4-7-6(10(15)21)2-3-8(16-7)11(12,13)14/h2-3H,4-5H2,1H3,(H2,15,21)
InChIKeyOUWJYKAPOSERQN-UHFFFAOYSA-N
XLogP-0.16
TPSA133.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 175774116) is 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cn1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)ccc2C(N)=O)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OUWJYKAPOSERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O3S/c1-20-18-9(17-19-20)5-24(22,23)4-7-6(10(15)21)2-3-8(16-7)11(12,13)14/h2-3H,4-5H2,1H3,(H2,15,21).
What are the key properties of 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 364.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175774116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).