3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C21H23ClN2O6S — CID 46222671

IUPAC3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H23ClN2O6S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(28,29)13-19(25)20(26)23-7-5-17(6-8-23)24-9-10-30-21(24)27/h1-4,11-12,17,19,25H,5-10,13H2/t19-/m1/s1
InChIKeyLJDPAYFOXPFABI-LJQANCHMSA-N
MW466.94 g/mol
LogP2.07
Rot. Bonds5

About 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 46222671) has the molecular formula C21H23ClN2O6S and a molecular weight of 466.94 g/mol. Its IUPAC name is 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID46222671
Molecular FormulaC21H23ClN2O6S
Molecular Weight466.94 g/mol
Exact Mass466.10
IUPAC Name3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H23ClN2O6S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(28,29)13-19(25)20(26)23-7-5-17(6-8-23)24-9-10-30-21(24)27/h1-4,11-12,17,19,25H,5-10,13H2/t19-/m1/s1
InChIKeyLJDPAYFOXPFABI-LJQANCHMSA-N
XLogP2.07
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 46222671) is 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is LJDPAYFOXPFABI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23ClN2O6S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(28,29)13-19(25)20(26)23-7-5-17(6-8-23)24-9-10-30-21(24)27/h1-4,11-12,17,19,25H,5-10,13H2/t19-/m1/s1.
What are the key properties of 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 466.94 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46222671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).