1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

C25H27N3O5S — CID 3487622

IUPAC1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(N2CCOCC2)c(/N=C/c2c(O)ccc3ccccc23)c1)N1CCOCC1
InChIInChI=1S/C25H27N3O5S/c29-25-8-5-19-3-1-2-4-21(19)22(25)18-26-23-17-20(34(30,31)28-11-15-33-16-12-28)6-7-24(23)27-9-13-32-14-10-27/h1-8,17-18,29H,9-16H2/b26-18+
InChIKeyBSWFQQYSNOPCFT-NLRVBDNBSA-N
MW481.57 g/mol
LogP3.15
Rot. Bonds5

About 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 3487622) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID3487622
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(N2CCOCC2)c(/N=C/c2c(O)ccc3ccccc23)c1)N1CCOCC1
InChIInChI=1S/C25H27N3O5S/c29-25-8-5-19-3-1-2-4-21(19)22(25)18-26-23-17-20(34(30,31)28-11-15-33-16-12-28)6-7-24(23)27-9-13-32-14-10-27/h1-8,17-18,29H,9-16H2/b26-18+
InChIKeyBSWFQQYSNOPCFT-NLRVBDNBSA-N
XLogP3.15
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135716394
1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 4848902
1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207
1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine
CID 4277694
1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 3680160
2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol
CID 4811270
4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 4848013
[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 5146120
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]thiourea
CID 136680662
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (CID 3487622) is 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is O=S(=O)(c1ccc(N2CCOCC2)c(/N=C/c2c(O)ccc3ccccc23)c1)N1CCOCC1.
What is the InChIKey of 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is BSWFQQYSNOPCFT-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H27N3O5S/c29-25-8-5-19-3-1-2-4-21(19)22(25)18-26-23-17-20(34(30,31)28-11-15-33-16-12-28)6-7-24(23)27-9-13-32-14-10-27/h1-8,17-18,29H,9-16H2/b26-18+.
What are the key properties of 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 481.57 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 3487622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).