4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C14H14N4O3S — CID 53176000

IUPAC4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(=O)[nH]nc(C)n3c2)c1
InChIInChI=1S/C14H14N4O3S/c1-9-4-3-5-11(6-9)17-22(20,21)12-7-13-14(19)16-15-10(2)18(13)8-12/h3-8,17H,1-2H3,(H,16,19)
InChIKeyGPDYJXODPRKABL-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.44
Rot. Bonds3

About 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176000) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176000
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(=O)[nH]nc(C)n3c2)c1
InChIInChI=1S/C14H14N4O3S/c1-9-4-3-5-11(6-9)17-22(20,21)12-7-13-14(19)16-15-10(2)18(13)8-12/h3-8,17H,1-2H3,(H,16,19)
InChIKeyGPDYJXODPRKABL-UHFFFAOYSA-N
XLogP1.44
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176163
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
(3-methylphenyl)sulfamic acid
CID 10307955
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-(3-methylphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179713
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
2,4-diethyl-N-(4-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176218
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176000) is 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc3c(=O)[nH]nc(C)n3c2)c1.
What is the InChIKey of 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is GPDYJXODPRKABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-9-4-3-5-11(6-9)17-22(20,21)12-7-13-14(19)16-15-10(2)18(13)8-12/h3-8,17H,1-2H3,(H,16,19).
What are the key properties of 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).