methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C17H21ClN2O7S — CID 3518759

IUPACmethyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C17H21ClN2O7S/c1-25-14-4-3-11(18)9-15(14)28(23,24)19-7-5-12(6-8-19)20-13(16(21)26-2)10-27-17(20)22/h3-4,9,12-13H,5-8,10H2,1-2H3
InChIKeyKSQKBJUWCIJKLP-UHFFFAOYSA-N
MW432.88 g/mol
LogP1.50
Rot. Bonds5

About methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3518759) has the molecular formula C17H21ClN2O7S and a molecular weight of 432.88 g/mol. Its IUPAC name is methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3518759
Molecular FormulaC17H21ClN2O7S
Molecular Weight432.88 g/mol
Exact Mass432.08
IUPAC Namemethyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C17H21ClN2O7S/c1-25-14-4-3-11(18)9-15(14)28(23,24)19-7-5-12(6-8-19)20-13(16(21)26-2)10-27-17(20)22/h3-4,9,12-13H,5-8,10H2,1-2H3
InChIKeyKSQKBJUWCIJKLP-UHFFFAOYSA-N
XLogP1.50
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

methyl (2S)-6-(5-chloro-2-methoxyphenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 129479758
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CID 23881553
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2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
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CID 1106586
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
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2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892345
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3518759) is methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(=O)N1C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is KSQKBJUWCIJKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O7S/c1-25-14-4-3-11(18)9-15(14)28(23,24)19-7-5-12(6-8-19)20-13(16(21)26-2)10-27-17(20)22/h3-4,9,12-13H,5-8,10H2,1-2H3.
What are the key properties of methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 432.88 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3518759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).