ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate

C21H24ClNO5S — CID 11351105

IUPACethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2OC)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyPGWYCWWVRQAMRF-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.27
Rot. Bonds5

About ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate

ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate (PubChem CID 11351105) has the molecular formula C21H24ClNO5S and a molecular weight of 437.95 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate
PubChem CID11351105
Molecular FormulaC21H24ClNO5S
Molecular Weight437.95 g/mol
Exact Mass437.11
IUPAC Nameethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2OC)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyPGWYCWWVRQAMRF-UHFFFAOYSA-N
XLogP4.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate (CID 11351105) is ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2ccccc2OC)(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate?
The InChIKey is PGWYCWWVRQAMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3.
What are the key properties of ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate?
ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate has a molecular weight of 437.95 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 11351105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).