5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C14H10F5N5O2S — CID 22151973

IUPAC5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(CF)nc2nc(S(=O)(=O)Nc3c(F)cccc3C(F)(F)F)nn12
InChIInChI=1S/C14H10F5N5O2S/c1-7-5-8(6-15)20-12-21-13(22-24(7)12)27(25,26)23-11-9(14(17,18)19)3-2-4-10(11)16/h2-5,23H,6H2,1H3
InChIKeyIAESRMHHMJIVIU-UHFFFAOYSA-N
MW407.32 g/mol
LogP2.86
Rot. Bonds4

About 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 22151973) has the molecular formula C14H10F5N5O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID22151973
Molecular FormulaC14H10F5N5O2S
Molecular Weight407.32 g/mol
Exact Mass407.05
IUPAC Name5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(CF)nc2nc(S(=O)(=O)Nc3c(F)cccc3C(F)(F)F)nn12
InChIInChI=1S/C14H10F5N5O2S/c1-7-5-8(6-15)20-12-21-13(22-24(7)12)27(25,26)23-11-9(14(17,18)19)3-2-4-10(11)16/h2-5,23H,6H2,1H3
InChIKeyIAESRMHHMJIVIU-UHFFFAOYSA-N
XLogP2.86
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 22151973) is 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(CF)nc2nc(S(=O)(=O)Nc3c(F)cccc3C(F)(F)F)nn12.
What is the InChIKey of 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is IAESRMHHMJIVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N5O2S/c1-7-5-8(6-15)20-12-21-13(22-24(7)12)27(25,26)23-11-9(14(17,18)19)3-2-4-10(11)16/h2-5,23H,6H2,1H3.
What are the key properties of 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 407.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 22151973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).