N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C13H11FN4O3S — CID 86810349

IUPACN-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc3c(=O)[nH]ncn3c2)c1
InChIInChI=1S/C13H11FN4O3S/c1-8-2-3-10(14)11(4-8)17-22(20,21)9-5-12-13(19)16-15-7-18(12)6-9/h2-7,17H,1H3,(H,16,19)
InChIKeyGLORMWWCRQCFOX-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.27
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 86810349) has the molecular formula C13H11FN4O3S and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID86810349
Molecular FormulaC13H11FN4O3S
Molecular Weight322.32 g/mol
Exact Mass322.05
IUPAC NameN-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc3c(=O)[nH]ncn3c2)c1
InChIInChI=1S/C13H11FN4O3S/c1-8-2-3-10(14)11(4-8)17-22(20,21)9-5-12-13(19)16-15-7-18(12)6-9/h2-7,17H,1H3,(H,16,19)
InChIKeyGLORMWWCRQCFOX-UHFFFAOYSA-N
XLogP1.27
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731
N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16779951
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
2-ethyl-N-(2-fluorophenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175975
4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176163
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143380
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379
[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]-methyl-oxoazanium
CID 159028628

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 86810349) is N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2cc3c(=O)[nH]ncn3c2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is GLORMWWCRQCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3S/c1-8-2-3-10(14)11(4-8)17-22(20,21)9-5-12-13(19)16-15-7-18(12)6-9/h2-7,17H,1H3,(H,16,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 322.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 86810349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).