N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

C20H23N3O6S — CID 3237646

IUPACN-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C20H23N3O6S/c1-5-28-13-7-10-18(29-6-2)15(11-13)21-30(26,27)14-8-9-16-17(12-14)23(4)20(25)19(24)22(16)3/h7-12,21H,5-6H2,1-4H3
InChIKeyIVYILNCWJZLKLL-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.84
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (PubChem CID 3237646) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
PubChem CID3237646
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC NameN-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C20H23N3O6S/c1-5-28-13-7-10-18(29-6-2)15(11-13)21-30(26,27)14-8-9-16-17(12-14)23(4)20(25)19(24)22(16)3/h7-12,21H,5-6H2,1-4H3
InChIKeyIVYILNCWJZLKLL-UHFFFAOYSA-N
XLogP1.84
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (CID 3237646) is N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The InChIKey is IVYILNCWJZLKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-5-28-13-7-10-18(29-6-2)15(11-13)21-30(26,27)14-8-9-16-17(12-14)23(4)20(25)19(24)22(16)3/h7-12,21H,5-6H2,1-4H3.
What are the key properties of N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide has a molecular weight of 433.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is sourced from PubChem (CID 3237646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).