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

C15H16N2O4S — CID 6910172

IUPAC4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O4S/c1-2-21-14-6-8-15(9-7-14)22(19,20)17-16-11-12-4-3-5-13(18)10-12/h3-11,17-18H,2H2,1H3/b16-11+
InChIKeyPHVUDMROJMUXDJ-LFIBNONCSA-N
MW320.37 g/mol
LogP2.10
Rot. Bonds6

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

4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6910172) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID6910172
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O4S/c1-2-21-14-6-8-15(9-7-14)22(19,20)17-16-11-12-4-3-5-13(18)10-12/h3-11,17-18H,2H2,1H3/b16-11+
InChIKeyPHVUDMROJMUXDJ-LFIBNONCSA-N
XLogP2.10
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
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-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
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)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
4-ethoxy-N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516670
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135738480
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616
4-ethoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135614386

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 6910172) is 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(O)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is PHVUDMROJMUXDJ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-21-14-6-8-15(9-7-14)22(19,20)17-16-11-12-4-3-5-13(18)10-12/h3-11,17-18H,2H2,1H3/b16-11+.
What are the key properties of 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6910172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).