5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol

C20H24N2O4S — CID 135595128

IUPAC5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESCCCOc1ccc(/C=N/c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)c1
InChIInChI=1S/C20H24N2O4S/c1-2-12-26-18-9-8-16(20(23)14-18)15-21-17-6-5-7-19(13-17)27(24,25)22-10-3-4-11-22/h5-9,13-15,23H,2-4,10-12H2,1H3/b21-15+
InChIKeySVHHRSLEPMXQDD-RCCKNPSSSA-N
MW388.49 g/mol
LogP3.72
Rot. Bonds7

About 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol

5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 135595128) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID135595128
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESCCCOc1ccc(/C=N/c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)c1
InChIInChI=1S/C20H24N2O4S/c1-2-12-26-18-9-8-16(20(23)14-18)15-21-17-6-5-7-19(13-17)27(24,25)22-10-3-4-11-22/h5-9,13-15,23H,2-4,10-12H2,1H3/b21-15+
InChIKeySVHHRSLEPMXQDD-RCCKNPSSSA-N
XLogP3.72
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 135812287
1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595201
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol
CID 135704199

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol (CID 135595128) is 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol is CCCOc1ccc(/C=N/c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)c1.
What is the InChIKey of 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is SVHHRSLEPMXQDD-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-12-26-18-9-8-16(20(23)14-18)15-21-17-6-5-7-19(13-17)27(24,25)22-10-3-4-11-22/h5-9,13-15,23H,2-4,10-12H2,1H3/b21-15+.
What are the key properties of 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol?
5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 388.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135595128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).