4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide

C19H24N2O4S — CID 135822912

IUPAC4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCOc1cc(/C=N/c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1O
InChIInChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)17-10-8-16(9-11-17)20-14-15-7-12-18(22)19(13-15)25-6-3/h7-14,22H,4-6H2,1-3H3/b20-14+
InChIKeyWWXHHAQETJWCPQ-XSFVSMFZSA-N
MW376.48 g/mol
LogP3.57
Rot. Bonds8

About 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide

4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (PubChem CID 135822912) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
PubChem CID135822912
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCOc1cc(/C=N/c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1O
InChIInChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)17-10-8-16(9-11-17)20-14-15-7-12-18(22)19(13-15)25-6-3/h7-14,22H,4-6H2,1-3H3/b20-14+
InChIKeyWWXHHAQETJWCPQ-XSFVSMFZSA-N
XLogP3.57
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745
4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
CID 5183188
4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
CID 135722054
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
[2-ethoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126214040
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136793444
3-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 135607789
potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
CID 135458846
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135905561
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 136873420
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135738480

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (CID 135822912) is 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is CCOc1cc(/C=N/c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1O.
What is the InChIKey of 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The InChIKey is WWXHHAQETJWCPQ-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)17-10-8-16(9-11-17)20-14-15-7-12-18(22)19(13-15)25-6-3/h7-14,22H,4-6H2,1-3H3/b20-14+.
What are the key properties of 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 135822912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).