4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C15H15FN4O3S — CID 53176168

IUPAC4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1n[nH]c(=O)c2cc(S(=O)(=O)NCc3ccccc3F)cn12
InChIInChI=1S/C15H15FN4O3S/c1-2-14-18-19-15(21)13-7-11(9-20(13)14)24(22,23)17-8-10-5-3-4-6-12(10)16/h3-7,9,17H,2,8H2,1H3,(H,19,21)
InChIKeyTUIHRFRUKMTUGP-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.20
Rot. Bonds5

About 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176168) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176168
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC Name4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1n[nH]c(=O)c2cc(S(=O)(=O)NCc3ccccc3F)cn12
InChIInChI=1S/C15H15FN4O3S/c1-2-14-18-19-15(21)13-7-11(9-20(13)14)24(22,23)17-8-10-5-3-4-6-12(10)16/h3-7,9,17H,2,8H2,1H3,(H,19,21)
InChIKeyTUIHRFRUKMTUGP-UHFFFAOYSA-N
XLogP1.20
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176168) is 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1n[nH]c(=O)c2cc(S(=O)(=O)NCc3ccccc3F)cn12.
What is the InChIKey of 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is TUIHRFRUKMTUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-2-14-18-19-15(21)13-7-11(9-20(13)14)24(22,23)17-8-10-5-3-4-6-12(10)16/h3-7,9,17H,2,8H2,1H3,(H,19,21).
What are the key properties of 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 350.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).