N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

C17H17N3O5S — CID 3239548

IUPACN-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C17H17N3O5S/c1-19-14-8-7-13(10-15(14)20(2)17(22)16(19)21)26(23,24)18-11-5-4-6-12(9-11)25-3/h4-10,18H,1-3H3
InChIKeyGZVVFZZJNHFPPP-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.05
Rot. Bonds4

About N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (PubChem CID 3239548) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
PubChem CID3239548
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C17H17N3O5S/c1-19-14-8-7-13(10-15(14)20(2)17(22)16(19)21)26(23,24)18-11-5-4-6-12(9-11)25-3/h4-10,18H,1-3H3
InChIKeyGZVVFZZJNHFPPP-UHFFFAOYSA-N
XLogP1.05
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (CID 3239548) is N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is COc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The InChIKey is GZVVFZZJNHFPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-19-14-8-7-13(10-15(14)20(2)17(22)16(19)21)26(23,24)18-11-5-4-6-12(9-11)25-3/h4-10,18H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide has a molecular weight of 375.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is sourced from PubChem (CID 3239548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).