1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine

C20H24ClNO5S — CID 46153744

IUPAC1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
SMILESCOc1cc(COC2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(OC)c1
InChIInChI=1S/C20H24ClNO5S/c1-25-18-10-15(11-19(12-18)26-2)14-27-17-4-3-9-22(13-17)28(23,24)20-7-5-16(21)6-8-20/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3
InChIKeyMNKYYFFFJBDBAE-UHFFFAOYSA-N
MW425.93 g/mol
LogP3.73
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine

1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine (PubChem CID 46153744) has the molecular formula C20H24ClNO5S and a molecular weight of 425.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
PubChem CID46153744
Molecular FormulaC20H24ClNO5S
Molecular Weight425.93 g/mol
Exact Mass425.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
SMILESCOc1cc(COC2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(OC)c1
InChIInChI=1S/C20H24ClNO5S/c1-25-18-10-15(11-19(12-18)26-2)14-27-17-4-3-9-22(13-17)28(23,24)20-7-5-16(21)6-8-20/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3
InChIKeyMNKYYFFFJBDBAE-UHFFFAOYSA-N
XLogP3.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.93
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46545357
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
CID 46029113
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
CID 53089776
1-(4-chlorophenyl)sulfonyl-N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 55920266
(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46029085
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 53008544
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine (CID 46153744) is 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine is COc1cc(COC2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine?
The InChIKey is MNKYYFFFJBDBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO5S/c1-25-18-10-15(11-19(12-18)26-2)14-27-17-4-3-9-22(13-17)28(23,24)20-7-5-16(21)6-8-20/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine?
1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine has a molecular weight of 425.93 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine is sourced from PubChem (CID 46153744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).