N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide

C17H14N2O4S — CID 2053792

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c20-24(21,16-5-1-3-12-4-2-8-18-17(12)16)19-13-6-7-14-15(11-13)23-10-9-22-14/h1-8,11,19H,9-10H2
InChIKeyMCUNULDGWUSQAQ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.81
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide (PubChem CID 2053792) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
PubChem CID2053792
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c20-24(21,16-5-1-3-12-4-2-8-18-17(12)16)19-13-6-7-14-15(11-13)23-10-9-22-14/h1-8,11,19H,9-10H2
InChIKeyMCUNULDGWUSQAQ-UHFFFAOYSA-N
XLogP2.81
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide (CID 2053792) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc2cccnc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide?
The InChIKey is MCUNULDGWUSQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-24(21,16-5-1-3-12-4-2-8-18-17(12)16)19-13-6-7-14-15(11-13)23-10-9-22-14/h1-8,11,19H,9-10H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 2053792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).