5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol

C19H22N2O5S — CID 135812287

IUPAC5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(O)c1
InChIInChI=1S/C19H22N2O5S/c1-2-26-17-6-3-15(19(22)13-17)14-20-16-4-7-18(8-5-16)27(23,24)21-9-11-25-12-10-21/h3-8,13-14,22H,2,9-12H2,1H3/b20-14+
InChIKeyWUOXOKJCKHFQOR-XSFVSMFZSA-N
MW390.46 g/mol
LogP2.56
Rot. Bonds6

About 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol

5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 135812287) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID135812287
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(O)c1
InChIInChI=1S/C19H22N2O5S/c1-2-26-17-6-3-15(19(22)13-17)14-20-16-4-7-18(8-5-16)27(23,24)21-9-11-25-12-10-21/h3-8,13-14,22H,2,9-12H2,1H3/b20-14+
InChIKeyWUOXOKJCKHFQOR-XSFVSMFZSA-N
XLogP2.56
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.56
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

4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 3494713
5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595128
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740101
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828458
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 136879316
2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol
CID 135817986
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol (CID 135812287) is 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol is CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is WUOXOKJCKHFQOR-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-26-17-6-3-15(19(22)13-17)14-20-16-4-7-18(8-5-16)27(23,24)21-9-11-25-12-10-21/h3-8,13-14,22H,2,9-12H2,1H3/b20-14+.
What are the key properties of 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 390.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135812287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).