N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide

C19H21N3O4S — CID 20914056

IUPACN-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1C
InChIInChI=1S/C19H21N3O4S/c1-11-6-7-14(8-12(11)2)20-27(25,26)17-10-16-15(9-13(17)3)21(4)18(23)19(24)22(16)5/h6-10,20H,1-5H3
InChIKeyBHZUWNTWGBUYCF-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.96
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide

N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide (PubChem CID 20914056) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
PubChem CID20914056
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1C
InChIInChI=1S/C19H21N3O4S/c1-11-6-7-14(8-12(11)2)20-27(25,26)17-10-16-15(9-13(17)3)21(4)18(23)19(24)22(16)5/h6-10,20H,1-5H3
InChIKeyBHZUWNTWGBUYCF-UHFFFAOYSA-N
XLogP1.96
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70121145
1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 53092106
4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100536303
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 110732709
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70122231
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide (CID 20914056) is N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The InChIKey is BHZUWNTWGBUYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-11-6-7-14(8-12(11)2)20-27(25,26)17-10-16-15(9-13(17)3)21(4)18(23)19(24)22(16)5/h6-10,20H,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide is sourced from PubChem (CID 20914056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).