N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide

C10H6BrFN6O2S — CID 157148835

IUPACN-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1nc2ncncn2n1
InChIInChI=1S/C10H6BrFN6O2S/c11-7-3-6(12)1-2-8(7)17-21(19,20)10-15-9-14-4-13-5-18(9)16-10/h1-5,17H
InChIKeyALADCEZDVHWZIR-UHFFFAOYSA-N
MW373.17 g/mol
LogP1.22
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide

N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide (PubChem CID 157148835) has the molecular formula C10H6BrFN6O2S and a molecular weight of 373.17 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
PubChem CID157148835
Molecular FormulaC10H6BrFN6O2S
Molecular Weight373.17 g/mol
Exact Mass371.94
IUPAC NameN-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1nc2ncncn2n1
InChIInChI=1S/C10H6BrFN6O2S/c11-7-3-6(12)1-2-8(7)17-21(19,20)10-15-9-14-4-13-5-18(9)16-10/h1-5,17H
InChIKeyALADCEZDVHWZIR-UHFFFAOYSA-N
XLogP1.22
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide (CID 157148835) is N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide is O=S(=O)(Nc1ccc(F)cc1Br)c1nc2ncncn2n1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
The InChIKey is ALADCEZDVHWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN6O2S/c11-7-3-6(12)1-2-8(7)17-21(19,20)10-15-9-14-4-13-5-18(9)16-10/h1-5,17H.
What are the key properties of N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide has a molecular weight of 373.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide is sourced from PubChem (CID 157148835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).