4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide

C17H18N2O4S — CID 17338078

IUPAC4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
SMILESC=CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-12-23-16-6-4-14(5-7-16)13-18-19-24(20,21)17-10-8-15(22-2)9-11-17/h3-11,13,19H,1,12H2,2H3/b18-13+
InChIKeyYUGNADHEMXYOJR-QGOAFFKASA-N
MW346.41 g/mol
LogP2.57
Rot. Bonds8

About 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide

4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 17338078) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID17338078
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
SMILESC=CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-12-23-16-6-4-14(5-7-16)13-18-19-24(20,21)17-10-8-15(22-2)9-11-17/h3-11,13,19H,1,12H2,2H3/b18-13+
InChIKeyYUGNADHEMXYOJR-QGOAFFKASA-N
XLogP2.57
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 9073657
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517273
3,4-dimethoxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517554
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
CID 27521411
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2248201
4-bromo-N-[(3,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643274

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide (CID 17338078) is 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide is C=CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is YUGNADHEMXYOJR-QGOAFFKASA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-12-23-16-6-4-14(5-7-16)13-18-19-24(20,21)17-10-8-15(22-2)9-11-17/h3-11,13,19H,1,12H2,2H3/b18-13+.
What are the key properties of 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide?
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 17338078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).