2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol

C18H20N2O5S — CID 5155606

IUPAC2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1O
InChIInChI=1S/C18H20N2O5S/c1-24-18-12-14(2-7-17(18)21)13-19-15-3-5-16(6-4-15)26(22,23)20-8-10-25-11-9-20/h2-7,12-13,21H,8-11H2,1H3/b19-13+
InChIKeyBBZRGTXFIZGZCR-CPNJWEJPSA-N
MW376.43 g/mol
LogP2.17
Rot. Bonds5

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

2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 5155606) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID5155606
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
SMILESCOc1cc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1O
InChIInChI=1S/C18H20N2O5S/c1-24-18-12-14(2-7-17(18)21)13-19-15-3-5-16(6-4-15)26(22,23)20-8-10-25-11-9-20/h2-7,12-13,21H,8-11H2,1H3/b19-13+
InChIKeyBBZRGTXFIZGZCR-CPNJWEJPSA-N
XLogP2.17
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.17
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

1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 3494713
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 135812287
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
2-methoxy-4-[(Z)-[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135650246
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine
CID 23763226
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 4848902
4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
CID 139088925
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol (CID 5155606) is 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol is COc1cc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is BBZRGTXFIZGZCR-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-18-12-14(2-7-17(18)21)13-19-15-3-5-16(6-4-15)26(22,23)20-8-10-25-11-9-20/h2-7,12-13,21H,8-11H2,1H3/b19-13+.
What are the key properties of 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 376.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 5155606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).