1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

C22H22N2O5S — CID 4848902

IUPAC1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESCOc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H22N2O5S/c1-28-21-9-7-17(14-22(21)30(26,27)24-10-12-29-13-11-24)23-15-19-18-5-3-2-4-16(18)6-8-20(19)25/h2-9,14-15,25H,10-13H2,1H3/b23-15+
InChIKeyQWCAIWBHOBZPDA-HZHRSRAPSA-N
MW426.49 g/mol
LogP3.33
Rot. Bonds5

About 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 4848902) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID4848902
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESCOc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H22N2O5S/c1-28-21-9-7-17(14-22(21)30(26,27)24-10-12-29-13-11-24)23-15-19-18-5-3-2-4-16(18)6-8-20(19)25/h2-9,14-15,25H,10-13H2,1H3/b23-15+
InChIKeyQWCAIWBHOBZPDA-HZHRSRAPSA-N
XLogP3.33
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.33
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-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 3487622
1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
1-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135716394
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 75124053
(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid
CID 131749272
1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135758566

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (CID 4848902) is 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is COc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is QWCAIWBHOBZPDA-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-28-21-9-7-17(14-22(21)30(26,27)24-10-12-29-13-11-24)23-15-19-18-5-3-2-4-16(18)6-8-20(19)25/h2-9,14-15,25H,10-13H2,1H3/b23-15+.
What are the key properties of 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 426.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 4848902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).