2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide

C10H9FN4O3S — CID 146154734

IUPAC2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4O3S/c1-19(17,18)14-10(16)9-6-12-15(13-9)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,14,16)
InChIKeyIPPYVFDVZDIZCB-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.10
Rot. Bonds3

About 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide

2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide (PubChem CID 146154734) has the molecular formula C10H9FN4O3S and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide
PubChem CID146154734
Molecular FormulaC10H9FN4O3S
Molecular Weight284.27 g/mol
Exact Mass284.04
IUPAC Name2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4O3S/c1-19(17,18)14-10(16)9-6-12-15(13-9)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,14,16)
InChIKeyIPPYVFDVZDIZCB-UHFFFAOYSA-N
XLogP0.10
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide (CID 146154734) is 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide is CS(=O)(=O)NC(=O)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide?
The InChIKey is IPPYVFDVZDIZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3S/c1-19(17,18)14-10(16)9-6-12-15(13-9)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,14,16).
What are the key properties of 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide?
2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide is sourced from PubChem (CID 146154734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).