N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

C16H18N2O5S — CID 5348459

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

About N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 5348459) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID5348459
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)c(OC)c(OC)c1
InChIInChI=1S/C16H18N2O5S/c1-21-13-9-12(16(23-3)15(10-13)22-2)11-17-18-24(19,20)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-11+
InChIKeyWWLUWHULMMFRMB-GZTJUZNOSA-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'}

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Related Compounds

N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 5414255
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6894217
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] benzenesulfonate
CID 6872551
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzenesulfonamide
CID 9625263
N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethylene)-4-methylbenzenesulfonohydrazide
CID 5350533
N'-[(Z)-(3,4,5-trimethoxyphenyl)methylidene]benzenesulfonohydrazide
CID 5442488
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,4-dimethoxybenzenesulfonohydrazide
CID 25237237
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 162649187
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 162651456
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 162655467
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide
CID 162661349

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 5348459) is N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1cc(/C=N/NS(=O)(=O)c2ccccc2)c(OC)c(OC)c1.
What is the InChIKey of N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is WWLUWHULMMFRMB-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-21-13-9-12(16(23-3)15(10-13)22-2)11-17-18-24(19,20)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-11+.
What are the key properties of N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2,3,5-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-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5348459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).