5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide

C10H10BrFN4O2S — CID 113366378

IUPAC5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(-c2ccc(Br)cc2F)nnc1S(N)(=O)=O
InChIInChI=1S/C10H10BrFN4O2S/c1-2-16-9(14-15-10(16)19(13,17)18)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3,(H2,13,17,18)
InChIKeyCZBYQBYFNYFYTC-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.51
Rot. Bonds3

About 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide

5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide (PubChem CID 113366378) has the molecular formula C10H10BrFN4O2S and a molecular weight of 349.19 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
PubChem CID113366378
Molecular FormulaC10H10BrFN4O2S
Molecular Weight349.19 g/mol
Exact Mass347.97
IUPAC Name5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(-c2ccc(Br)cc2F)nnc1S(N)(=O)=O
InChIInChI=1S/C10H10BrFN4O2S/c1-2-16-9(14-15-10(16)19(13,17)18)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3,(H2,13,17,18)
InChIKeyCZBYQBYFNYFYTC-UHFFFAOYSA-N
XLogP1.51
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide (CID 113366378) is 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide is CCn1c(-c2ccc(Br)cc2F)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is CZBYQBYFNYFYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O2S/c1-2-16-9(14-15-10(16)19(13,17)18)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3,(H2,13,17,18).
What are the key properties of 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 349.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).