N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

C18H17N3O6S — CID 3239422

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C18H17N3O6S/c1-20-13-5-4-12(10-14(13)21(2)18(23)17(20)22)28(24,25)19-11-3-6-15-16(9-11)27-8-7-26-15/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyAJLFQFYMLRXVHV-UHFFFAOYSA-N
MW403.42 g/mol
LogP0.81
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (PubChem CID 3239422) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
PubChem CID3239422
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C18H17N3O6S/c1-20-13-5-4-12(10-14(13)21(2)18(23)17(20)22)28(24,25)19-11-3-6-15-16(9-11)27-8-7-26-15/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyAJLFQFYMLRXVHV-UHFFFAOYSA-N
XLogP0.81
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 50.81
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide (CID 3239422) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
The InChIKey is AJLFQFYMLRXVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c1-20-13-5-4-12(10-14(13)21(2)18(23)17(20)22)28(24,25)19-11-3-6-15-16(9-11)27-8-7-26-15/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide has a molecular weight of 403.42 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide is sourced from PubChem (CID 3239422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).