N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H12FN5O2S — CID 629385

IUPACN-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3cccc(F)c3)nc2n1
InChIInChI=1S/C13H12FN5O2S/c1-8-6-9(2)19-12(15-8)16-13(17-19)22(20,21)18-11-5-3-4-10(14)7-11/h3-7,18H,1-2H3
InChIKeyDPIXJBFABDOFKI-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.68
Rot. Bonds3

About N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 629385) has the molecular formula C13H12FN5O2S and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID629385
Molecular FormulaC13H12FN5O2S
Molecular Weight321.34 g/mol
Exact Mass321.07
IUPAC NameN-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3cccc(F)c3)nc2n1
InChIInChI=1S/C13H12FN5O2S/c1-8-6-9(2)19-12(15-8)16-13(17-19)22(20,21)18-11-5-3-4-10(14)7-11/h3-7,18H,1-2H3
InChIKeyDPIXJBFABDOFKI-UHFFFAOYSA-N
XLogP1.68
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 629385) is N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)Nc3cccc(F)c3)nc2n1.
What is the InChIKey of N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is DPIXJBFABDOFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2S/c1-8-6-9(2)19-12(15-8)16-13(17-19)22(20,21)18-11-5-3-4-10(14)7-11/h3-7,18H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 321.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 629385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).