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

C20H22ClN3O6S — CID 59347367

IUPAC3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(N2CCOC2=O)CC1
InChIInChI=1S/C20H22ClN3O6S/c21-16-3-1-15-12-17(4-2-14(15)11-16)31(28,29)13-18(25)19(26)22-5-7-23(8-6-22)24-9-10-30-20(24)27/h1-4,11-12,18,25H,5-10,13H2/t18-/m1/s1
InChIKeyISDPYVXXYKRLSD-GOSISDBHSA-N
MW467.93 g/mol
LogP1.14
Rot. Bonds5

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

3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one (PubChem CID 59347367) has the molecular formula C20H22ClN3O6S and a molecular weight of 467.93 g/mol. Its IUPAC name is 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one
PubChem CID59347367
Molecular FormulaC20H22ClN3O6S
Molecular Weight467.93 g/mol
Exact Mass467.09
IUPAC Name3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(N2CCOC2=O)CC1
InChIInChI=1S/C20H22ClN3O6S/c21-16-3-1-15-12-17(4-2-14(15)11-16)31(28,29)13-18(25)19(26)22-5-7-23(8-6-22)24-9-10-30-20(24)27/h1-4,11-12,18,25H,5-10,13H2/t18-/m1/s1
InChIKeyISDPYVXXYKRLSD-GOSISDBHSA-N
XLogP1.14
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one (CID 59347367) is 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(N2CCOC2=O)CC1.
What is the InChIKey of 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one?
The InChIKey is ISDPYVXXYKRLSD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22ClN3O6S/c21-16-3-1-15-12-17(4-2-14(15)11-16)31(28,29)13-18(25)19(26)22-5-7-23(8-6-22)24-9-10-30-20(24)27/h1-4,11-12,18,25H,5-10,13H2/t18-/m1/s1.
What are the key properties of 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one?
3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one has a molecular weight of 467.93 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59347367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).