5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol

C22H20Cl2N2O2S — CID 137082477

IUPAC5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol
SMILESCCc1c(CSc2ccccc2/N=C/c2cc(Cl)cc(Cl)c2O)cnc(C)c1O
InChIInChI=1S/C22H20Cl2N2O2S/c1-3-17-15(11-25-13(2)21(17)27)12-29-20-7-5-4-6-19(20)26-10-14-8-16(23)9-18(24)22(14)28/h4-11,27-28H,3,12H2,1-2H3/b26-10+
InChIKeyCEEWRQADOOYQPL-NSKAYECMSA-N
MW447.39 g/mol
LogP6.71
Rot. Bonds6

About 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol

5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol (PubChem CID 137082477) has the molecular formula C22H20Cl2N2O2S and a molecular weight of 447.39 g/mol. Its IUPAC name is 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol
PubChem CID137082477
Molecular FormulaC22H20Cl2N2O2S
Molecular Weight447.39 g/mol
Exact Mass446.06
IUPAC Name5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol
SMILESCCc1c(CSc2ccccc2/N=C/c2cc(Cl)cc(Cl)c2O)cnc(C)c1O
InChIInChI=1S/C22H20Cl2N2O2S/c1-3-17-15(11-25-13(2)21(17)27)12-29-20-7-5-4-6-19(20)26-10-14-8-16(23)9-18(24)22(14)28/h4-11,27-28H,3,12H2,1-2H3/b26-10+
InChIKeyCEEWRQADOOYQPL-NSKAYECMSA-N
XLogP6.71
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.39
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol with MolForge

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Related Compounds

4-chloro-2,6-bis[(2-sulfanylphenyl)iminomethyl]phenol
CID 135603470
2-[[2-[(2S)-butan-2-yl]phenyl]iminomethyl]-6-chloro-4-methylphenol
CID 959676
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 136797753
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
ethyl (2S,3S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxy-3-phenylpropanoate
CID 1352916
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
CID 4662873
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
CID 135598021
4-[(4-fluorophenyl)diazenyl]-2-[[2-[[2-[[2-[[5-[(4-fluorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfanylmethyl]phenyl]methylsulfanyl]phenyl]iminomethyl]phenol
CID 136870008

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol?
The IUPAC name of 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol (CID 137082477) is 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol.
What is the SMILES notation for 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol?
The canonical SMILES for 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol is CCc1c(CSc2ccccc2/N=C/c2cc(Cl)cc(Cl)c2O)cnc(C)c1O.
What is the InChIKey of 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol?
The InChIKey is CEEWRQADOOYQPL-NSKAYECMSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2S/c1-3-17-15(11-25-13(2)21(17)27)12-29-20-7-5-4-6-19(20)26-10-14-8-16(23)9-18(24)22(14)28/h4-11,27-28H,3,12H2,1-2H3/b26-10+.
What are the key properties of 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol?
5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol has a molecular weight of 447.39 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]sulfanylmethyl]-4-ethyl-2-methylpyridin-3-ol is sourced from PubChem (CID 137082477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).