4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

C20H23ClN2O4S — CID 135595753

IUPAC4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESCCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN2O4S/c1-2-27-19-9-7-17(22-14-15-12-16(21)6-8-18(15)24)13-20(19)28(25,26)23-10-4-3-5-11-23/h6-9,12-14,24H,2-5,10-11H2,1H3/b22-14+
InChIKeyXNOWRSZCSFONCT-HYARGMPZSA-N
MW422.93 g/mol
LogP4.37
Rot. Bonds6

About 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 135595753) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID135595753
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESCCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN2O4S/c1-2-27-19-9-7-17(22-14-15-12-16(21)6-8-18(15)24)13-20(19)28(25,26)23-10-4-3-5-11-23/h6-9,12-14,24H,2-5,10-11H2,1H3/b22-14+
InChIKeyXNOWRSZCSFONCT-HYARGMPZSA-N
XLogP4.37
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.37
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

1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine
CID 27243935
2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
CID 135596129
5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135758621
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 9003807
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
(3S)-N-[(2R)-butan-2-yl]-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9003818
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 92647753
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550676
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874930
3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 17488443
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 3161705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (CID 135595753) is 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is CCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is XNOWRSZCSFONCT-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-2-27-19-9-7-17(22-14-15-12-16(21)6-8-18(15)24)13-20(19)28(25,26)23-10-4-3-5-11-23/h6-9,12-14,24H,2-5,10-11H2,1H3/b22-14+.
What are the key properties of 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 422.93 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135595753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).