4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide

C16H18N2O4S — CID 6908628

IUPAC4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-14-7-9-16(10-8-14)23(19,20)18-17-12-13-5-4-6-15(11-13)21-2/h4-12,18H,3H2,1-2H3/b17-12+
InChIKeyUQUKPSSNQORYLL-SFQUDFHCSA-N
MW334.40 g/mol
LogP2.41
Rot. Bonds7

About 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide

4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6908628) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID6908628
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-14-7-9-16(10-8-14)23(19,20)18-17-12-13-5-4-6-15(11-13)21-2/h4-12,18H,3H2,1-2H3/b17-12+
InChIKeyUQUKPSSNQORYLL-SFQUDFHCSA-N
XLogP2.41
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.41
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

4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516667
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516716
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
4-ethoxy-N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516670
4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516660
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide (CID 6908628) is 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(OC)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is UQUKPSSNQORYLL-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-14-7-9-16(10-8-14)23(19,20)18-17-12-13-5-4-6-15(11-13)21-2/h4-12,18H,3H2,1-2H3/b17-12+.
What are the key properties of 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6908628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).