N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide

C18H16N2O5S — CID 3241933

IUPACN-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12
InChIInChI=1S/C18H16N2O5S/c1-2-23-15-7-8-17(13-4-3-9-19-18(13)15)26(21,22)20-12-5-6-14-16(10-12)25-11-24-14/h3-10,20H,2,11H2,1H3
InChIKeyWUEDWQFWLIYZIU-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.16
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide

N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide (PubChem CID 3241933) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide
PubChem CID3241933
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12
InChIInChI=1S/C18H16N2O5S/c1-2-23-15-7-8-17(13-4-3-9-19-18(13)15)26(21,22)20-12-5-6-14-16(10-12)25-11-24-14/h3-10,20H,2,11H2,1H3
InChIKeyWUEDWQFWLIYZIU-UHFFFAOYSA-N
XLogP3.16
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide (CID 3241933) is N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide?
The InChIKey is WUEDWQFWLIYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-2-23-15-7-8-17(13-4-3-9-19-18(13)15)26(21,22)20-12-5-6-14-16(10-12)25-11-24-14/h3-10,20H,2,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide?
N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide has a molecular weight of 372.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-8-ethoxyquinoline-5-sulfonamide is sourced from PubChem (CID 3241933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).