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

C18H27N3O4S — CID 20858663

IUPACN-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C18H27N3O4S/c1-5-7-8-13(6-2)12-19-26(24,25)14-9-10-15-16(11-14)21(4)18(23)17(22)20(15)3/h9-11,13,19H,5-8,12H2,1-4H3
InChIKeyJSBZZPCCVPPHEF-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.73
Rot. Bonds8

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

N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (PubChem CID 20858663) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
PubChem CID20858663
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C18H27N3O4S/c1-5-7-8-13(6-2)12-19-26(24,25)14-9-10-15-16(11-14)21(4)18(23)17(22)20(15)3/h9-11,13,19H,5-8,12H2,1-4H3
InChIKeyJSBZZPCCVPPHEF-UHFFFAOYSA-N
XLogP1.73
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.73
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

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 51307194
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (CID 20858663) is N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The InChIKey is JSBZZPCCVPPHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-5-7-8-13(6-2)12-19-26(24,25)14-9-10-15-16(11-14)21(4)18(23)17(22)20(15)3/h9-11,13,19H,5-8,12H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is sourced from PubChem (CID 20858663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).