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

C13H15N3O4S — CID 2810645

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cn1C
InChIInChI=1S/C13H15N3O4S/c1-9-14-13(8-16(9)2)21(17,18)15-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyWJHQJVWYQRZRCX-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.30
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 2810645) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID2810645
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cn1C
InChIInChI=1S/C13H15N3O4S/c1-9-14-13(8-16(9)2)21(17,18)15-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyWJHQJVWYQRZRCX-UHFFFAOYSA-N
XLogP1.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide (CID 2810645) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cn1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is WJHQJVWYQRZRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9-14-13(8-16(9)2)21(17,18)15-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 2810645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).