N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide

C15H14N2O5S — CID 5407732

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-20-12-3-5-13(6-4-12)23(18,19)17-16-9-11-2-7-14-15(8-11)22-10-21-14/h2-9,17H,10H2,1H3/b16-9-
InChIKeyHQIFYPAGDZCFPD-SXGWCWSVSA-N
MW334.35 g/mol
LogP1.74
Rot. Bonds5

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 5407732) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide
PubChem CID5407732
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-20-12-3-5-13(6-4-12)23(18,19)17-16-9-11-2-7-14-15(8-11)22-10-21-14/h2-9,17H,10H2,1H3/b16-9-
InChIKeyHQIFYPAGDZCFPD-SXGWCWSVSA-N
XLogP1.74
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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,N'-Bis(piperonylidene)hydrazine
CID 5337686
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,5-dimethoxybenzenesulfonohydrazide
CID 6131904
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,4-dimethylbenzenesulfonohydrazide
CID 25237236
N'-[(1Z)-1-(1,3-benzodioxol-5-yl)ethylidene]-2,4-dimethylbenzenesulfonohydrazide
CID 25237532
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-fluorobenzenesulfonamide
CID 56642872
2-Methoxy-4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6894276
N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]benzenesulfonohydrazide
CID 9634492
LASSBio-1632
CID 154573767
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-4-ethylbenzenesulfonohydrazide
CID 6132100
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 5414255
N'-[1-(1,3-benzodioxol-5-yl)ethylidene]-4-chlorobenzenesulfonohydrazide
CID 5434309

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide (CID 5407732) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is HQIFYPAGDZCFPD-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-20-12-3-5-13(6-4-12)23(18,19)17-16-9-11-2-7-14-15(8-11)22-10-21-14/h2-9,17H,10H2,1H3/b16-9-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 334.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 5407732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).