(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

C20H22ClNO5S — CID 46545357

IUPAC(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1cccc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H22ClNO5S/c1-26-18-6-2-4-15(12-18)14-27-20(23)16-5-3-11-22(13-16)28(24,25)19-9-7-17(21)8-10-19/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3
InChIKeyFPZRZLYYIDSXES-UHFFFAOYSA-N
MW423.92 g/mol
LogP3.49
Rot. Bonds6

About (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 46545357) has the molecular formula C20H22ClNO5S and a molecular weight of 423.92 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
PubChem CID46545357
Molecular FormulaC20H22ClNO5S
Molecular Weight423.92 g/mol
Exact Mass423.09
IUPAC Name(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1cccc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H22ClNO5S/c1-26-18-6-2-4-15(12-18)14-27-20(23)16-5-3-11-22(13-16)28(24,25)19-9-7-17(21)8-10-19/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3
InChIKeyFPZRZLYYIDSXES-UHFFFAOYSA-N
XLogP3.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55414190
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
(4-methylsulfanylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 46659336
(3-methoxyphenyl)methyl 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 25310532
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
(4-pyrazol-1-ylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46514071
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3S)-1-(4-bromophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 26015111
(3-methoxyphenyl)methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 42983013
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189573
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
ethyl 1-[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 126234271

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate (CID 46545357) is (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate is COc1cccc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is FPZRZLYYIDSXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5S/c1-26-18-6-2-4-15(12-18)14-27-20(23)16-5-3-11-22(13-16)28(24,25)19-9-7-17(21)8-10-19/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 423.92 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 46545357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).