N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide

C16H15N3O4S — CID 110760353

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide
SMILESCn1cnc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C16H15N3O4S/c1-19-10-17-13-9-12(3-4-14(13)19)24(20,21)18-11-2-5-15-16(8-11)23-7-6-22-15/h2-5,8-10,18H,6-7H2,1H3
InChIKeyJMYSILIHUQDGRR-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.15
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide (PubChem CID 110760353) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide
PubChem CID110760353
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide
SMILESCn1cnc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C16H15N3O4S/c1-19-10-17-13-9-12(3-4-14(13)19)24(20,21)18-11-2-5-15-16(8-11)23-7-6-22-15/h2-5,8-10,18H,6-7H2,1H3
InChIKeyJMYSILIHUQDGRR-UHFFFAOYSA-N
XLogP2.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.15
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-methylbenzimidazole-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide (CID 110760353) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide is Cn1cnc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide?
The InChIKey is JMYSILIHUQDGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-19-10-17-13-9-12(3-4-14(13)19)24(20,21)18-11-2-5-15-16(8-11)23-7-6-22-15/h2-5,8-10,18H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 2.15, 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-methylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).