N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide

C16H16N2O4S — CID 5350534

IUPACN-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4S/c1-12(13-7-8-15-16(11-13)22-10-9-21-15)17-18-23(19,20)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3/b17-12+
InChIKeyAEPONBGLDZUAGO-SFQUDFHCSA-N
MW332.38 g/mol
LogP2.16
Rot. Bonds4

About N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide

N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide (PubChem CID 5350534) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide
PubChem CID5350534
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4S/c1-12(13-7-8-15-16(11-13)22-10-9-21-15)17-18-23(19,20)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3/b17-12+
InChIKeyAEPONBGLDZUAGO-SFQUDFHCSA-N
XLogP2.16
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide (CID 5350534) is N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is AEPONBGLDZUAGO-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-12(13-7-8-15-16(11-13)22-10-9-21-15)17-18-23(19,20)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3/b17-12+.
What are the key properties of N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide?
N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5350534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).