N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C14H14N4O4S — CID 53175950

IUPACN-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(=O)n(C)ncn3c2)cc1
InChIInChI=1S/C14H14N4O4S/c1-17-14(19)13-7-12(8-18(13)9-15-17)23(20,21)16-10-3-5-11(22-2)6-4-10/h3-9,16H,1-2H3
InChIKeyWFVFWQYKTKZMAI-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.84
Rot. Bonds4

About N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53175950) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53175950
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(=O)n(C)ncn3c2)cc1
InChIInChI=1S/C14H14N4O4S/c1-17-14(19)13-7-12(8-18(13)9-15-17)23(20,21)16-10-3-5-11(22-2)6-4-10/h3-9,16H,1-2H3
InChIKeyWFVFWQYKTKZMAI-UHFFFAOYSA-N
XLogP0.84
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53175950) is N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is COc1ccc(NS(=O)(=O)c2cc3c(=O)n(C)ncn3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is WFVFWQYKTKZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-17-14(19)13-7-12(8-18(13)9-15-17)23(20,21)16-10-3-5-11(22-2)6-4-10/h3-9,16H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 334.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53175950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).