4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

C27H25N3O4S — CID 21212200

IUPAC4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OCc1ccccc1
InChIInChI=1S/C27H25N3O4S/c1-2-33-25-16-11-22(18-26(25)34-20-21-8-4-3-5-9-21)19-29-23-12-14-24(15-13-23)35(31,32)30-27-10-6-7-17-28-27/h3-19H,2,20H2,1H3,(H,28,30)/b29-19+
InChIKeyVBJPNVJDJFZOKF-VUTHCHCSSA-N
MW487.58 g/mol
LogP5.61
Rot. Bonds10

About 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 21212200) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID21212200
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OCc1ccccc1
InChIInChI=1S/C27H25N3O4S/c1-2-33-25-16-11-22(18-26(25)34-20-21-8-4-3-5-9-21)19-29-23-12-14-24(15-13-23)35(31,32)30-27-10-6-7-17-28-27/h3-19H,2,20H2,1H3,(H,28,30)/b29-19+
InChIKeyVBJPNVJDJFZOKF-VUTHCHCSSA-N
XLogP5.61
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 132817469
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 6872611
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 110509572
1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205917
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
[2-ethoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126214040
N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4008374
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
[4-[(E)-[(3-ethoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
CID 126331585
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 21212200) is 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is CCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OCc1ccccc1.
What is the InChIKey of 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is VBJPNVJDJFZOKF-VUTHCHCSSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-2-33-25-16-11-22(18-26(25)34-20-21-8-4-3-5-9-21)19-29-23-12-14-24(15-13-23)35(31,32)30-27-10-6-7-17-28-27/h3-19H,2,20H2,1H3,(H,28,30)/b29-19+.
What are the key properties of 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 21212200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).