N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C16H16F2N4O3S — CID 53176255

IUPACN-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn12
InChIInChI=1S/C16H16F2N4O3S/c1-3-15-19-22(4-2)16(23)14-8-13(9-21(14)15)26(24,25)20-12-6-10(17)5-11(18)7-12/h5-9,20H,3-4H2,1-2H3
InChIKeyCQYYIRWEXAFKEU-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.16
Rot. Bonds5

About N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176255) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176255
Molecular FormulaC16H16F2N4O3S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC NameN-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn12
InChIInChI=1S/C16H16F2N4O3S/c1-3-15-19-22(4-2)16(23)14-8-13(9-21(14)15)26(24,25)20-12-6-10(17)5-11(18)7-12/h5-9,20H,3-4H2,1-2H3
InChIKeyCQYYIRWEXAFKEU-UHFFFAOYSA-N
XLogP2.16
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide with MolForge

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Related Compounds

2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176218
2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176262
N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176251
N-[(3,5-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176210
2,4-diethyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 95103500
2,4-diethyl-1-oxo-N-(1-phenylethyl)pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176237
N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176107
4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 95103498
N-(3,5-difluorophenyl)-2-ethyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182944
2-ethyl-N-(2-fluorophenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175975
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 60815193
N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175990

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176255) is N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn12.
What is the InChIKey of N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is CQYYIRWEXAFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c1-3-15-19-22(4-2)16(23)14-8-13(9-21(14)15)26(24,25)20-12-6-10(17)5-11(18)7-12/h5-9,20H,3-4H2,1-2H3.
What are the key properties of N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 382.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).