N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

C16H18N2O5S — CID 5442488

IUPACN-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cc(/C=N\NS(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-21-14-9-12(10-15(22-2)16(14)23-3)11-17-18-24(19,20)13-7-5-4-6-8-13/h4-11,18H,1-3H3/b17-11-
InChIKeyRBKRKGPHWHICOM-BOPFTXTBSA-N
MW350.40 g/mol
LogP2.02
Rot. Bonds7

About N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 5442488) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID5442488
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cc(/C=N\NS(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-21-14-9-12(10-15(22-2)16(14)23-3)11-17-18-24(19,20)13-7-5-4-6-8-13/h4-11,18H,1-3H3/b17-11-
InChIKeyRBKRKGPHWHICOM-BOPFTXTBSA-N
XLogP2.02
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.02
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'}

Analyze N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1E)-(2,3,5-trimethoxyphenyl)methylene]benzenesulfonohydrazide
CID 5348459
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
4-methyl-N-{2-oxo-2-[2-(3,4,5-trimethoxybenzylidene)hydrazino]ethyl}benzenesulfonamide
CID 6874302
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-methoxy-4-{(E)-[2-(phenylsulfonyl)hydrazinylidene]methyl}phenyl 4-methylbenzenesulfonate
CID 6894276
N'',N'''-bis[(E)-(3,4,5-trimethoxyphenyl)methylidene]thiocarbonohydrazide
CID 6899594
3-[(2E)-1-methyl-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]-1,2-benzothiazole 1,1-dioxide
CID 9678016
N'-(4-Methoxybenzylidene)benzenesulfonohydrazide
CID 6908543
N'-(1,3-benzodioxol-5-ylmethylene)-4-methoxybenzenesulfonohydrazide
CID 5407732
N'-[1-(3,4-dimethoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 5411715
4-(3,4,5-Trimethoxyphenyl)benzenesulfonamide
CID 127038553
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-4-ethylbenzenesulfonohydrazide
CID 6132100

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 5442488) is N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1cc(/C=N\NS(=O)(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is RBKRKGPHWHICOM-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-21-14-9-12(10-15(22-2)16(14)23-3)11-17-18-24(19,20)13-7-5-4-6-8-13/h4-11,18H,1-3H3/b17-11-.
What are the key properties of N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5442488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).