2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide

C18H19N3O6S — CID 9237986

IUPAC2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)CNS(=O)(=O)c2ccccc2)cc2c1OCCO2
InChIInChI=1S/C18H19N3O6S/c1-25-15-9-13(10-16-18(15)27-8-7-26-16)11-19-21-17(22)12-20-28(23,24)14-5-3-2-4-6-14/h2-6,9-11,20H,7-8,12H2,1H3,(H,21,22)/b19-11-
InChIKeyBRFRUDJRYYMNTA-ODLFYWEKSA-N
MW405.43 g/mol
LogP0.89
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide

2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide (PubChem CID 9237986) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide
PubChem CID9237986
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)CNS(=O)(=O)c2ccccc2)cc2c1OCCO2
InChIInChI=1S/C18H19N3O6S/c1-25-15-9-13(10-16-18(15)27-8-7-26-16)11-19-21-17(22)12-20-28(23,24)14-5-3-2-4-6-14/h2-6,9-11,20H,7-8,12H2,1H3,(H,21,22)/b19-11-
InChIKeyBRFRUDJRYYMNTA-ODLFYWEKSA-N
XLogP0.89
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(benzenesulfonamido)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92534256
[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 6244389
2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 92534259
[4-[[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 4226760
3,4-dimethoxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9232627
4-hydroxy-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]benzamide
CID 9072934
N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464476
2-(benzenesulfonamido)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 9038855
2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide
CID 44592036
4-[[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfamoyl]benzoic acid
CID 89116773
2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135710674
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 6279022

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide (CID 9237986) is 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide is COc1cc(/C=N\NC(=O)CNS(=O)(=O)c2ccccc2)cc2c1OCCO2.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide?
The InChIKey is BRFRUDJRYYMNTA-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-25-15-9-13(10-16-18(15)27-8-7-26-16)11-19-21-17(22)12-20-28(23,24)14-5-3-2-4-6-14/h2-6,9-11,20H,7-8,12H2,1H3,(H,21,22)/b19-11-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide has a molecular weight of 405.43 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide is sourced from PubChem (CID 9237986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).