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

C19H21N3O5S — CID 3245256

IUPAC1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C19H21N3O5S/c1-4-21-16-10-9-15(12-17(16)22(5-2)19(24)18(21)23)28(25,26)20-13-7-6-8-14(11-13)27-3/h6-12,20H,4-5H2,1-3H3
InChIKeyAEHLMDLMPZVIHK-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.01
Rot. Bonds6

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

1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide (PubChem CID 3245256) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
PubChem CID3245256
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C19H21N3O5S/c1-4-21-16-10-9-15(12-17(16)22(5-2)19(24)18(21)23)28(25,26)20-13-7-6-8-14(11-13)27-3/h6-12,20H,4-5H2,1-3H3
InChIKeyAEHLMDLMPZVIHK-UHFFFAOYSA-N
XLogP2.01
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53074945
1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252071
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
CID 1048274
N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
CID 17252079
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide?
The IUPAC name of 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide (CID 3245256) is 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide.
What is the SMILES notation for 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide?
The canonical SMILES for 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide is CCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc(OC)c3)ccc21.
What is the InChIKey of 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide?
The InChIKey is AEHLMDLMPZVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-4-21-16-10-9-15(12-17(16)22(5-2)19(24)18(21)23)28(25,26)20-13-7-6-8-14(11-13)27-3/h6-12,20H,4-5H2,1-3H3.
What are the key properties of 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide?
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide has a molecular weight of 403.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide is sourced from PubChem (CID 3245256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).