1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole

C15H12N2O4S — CID 6473069

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)n1cnc2ccccc21
InChIInChI=1S/C15H12N2O4S/c18-22(19,17-10-16-12-3-1-2-4-13(12)17)11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2
InChIKeyAJDOSOWQIXDHJF-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.04
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole (PubChem CID 6473069) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole
PubChem CID6473069
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)n1cnc2ccccc21
InChIInChI=1S/C15H12N2O4S/c18-22(19,17-10-16-12-3-1-2-4-13(12)17)11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2
InChIKeyAJDOSOWQIXDHJF-UHFFFAOYSA-N
XLogP2.04
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide
CID 24619947
1-(4-ethoxy-3-methylphenyl)sulfonylbenzimidazole
CID 2147477
1-(4-propylphenyl)sulfonylbenzimidazole
CID 22200833
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole
CID 43814266
1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
CID 63767552
1-(2,4-dibromophenyl)sulfonylbenzimidazole
CID 2849375
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 2563217
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
2-(benzenesulfonyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-dihydroisoindole
CID 56969169
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721464
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1-oxide
CID 110721601

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole (CID 6473069) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole is O=S(=O)(c1ccc2c(c1)OCCO2)n1cnc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole?
The InChIKey is AJDOSOWQIXDHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-22(19,17-10-16-12-3-1-2-4-13(12)17)11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole has a molecular weight of 316.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole is sourced from PubChem (CID 6473069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).