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

C15H14N2O4S — CID 5343558

IUPACN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-22(19,13-4-2-1-3-5-13)17-16-11-12-6-7-14-15(10-12)21-9-8-20-14/h1-7,10-11,17H,8-9H2/b16-11+
InChIKeyAYUVFKQUJRSCKI-LFIBNONCSA-N
MW318.35 g/mol
LogP1.77
Rot. Bonds4

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

N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide (PubChem CID 5343558) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide
PubChem CID5343558
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-22(19,13-4-2-1-3-5-13)17-16-11-12-6-7-14-15(10-12)21-9-8-20-14/h1-7,10-11,17H,8-9H2/b16-11+
InChIKeyAYUVFKQUJRSCKI-LFIBNONCSA-N
XLogP1.77
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.77
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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Related Compounds

N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]benzenesulfonohydrazide
CID 5350534
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-fluorobenzenesulfonamide
CID 56642872
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-Methoxy-4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6894276
N'-(4-(Benzyloxy)benzylidene)-4-methylbenzenesulfonohydrazide
CID 5334654
N'-(1,3-benzodioxol-5-ylmethylene)-4-methoxybenzenesulfonohydrazide
CID 5407732
N'-[1-(3,4-dimethoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 5411715
2-Ethoxy-4-[(hydroxyimino)methyl]phenyl 4-methylbenzenesulfonate
CID 6898171
4-[(Hydroxyimino)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
CID 6898249
4-[[(3-Methoxy-4-prop-2-ynoxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 155539579
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 5414255

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide (CID 5343558) is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide?
The InChIKey is AYUVFKQUJRSCKI-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-22(19,13-4-2-1-3-5-13)17-16-11-12-6-7-14-15(10-12)21-9-8-20-14/h1-7,10-11,17H,8-9H2/b16-11+.
What are the key properties of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide?
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5343558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).