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

C23H27ClN2O5S — CID 11583800

IUPAC1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C23H27ClN2O5S/c24-18-6-4-17-14-20(7-5-16(17)13-18)32(30,31)15-21(27)23(29)25-11-8-19(9-12-25)26-10-2-1-3-22(26)28/h4-7,13-14,19,21,27H,1-3,8-12,15H2/t21-/m1/s1
InChIKeyDJHQIIXBVWGNBK-OAQYLSRUSA-N
MW479.00 g/mol
LogP2.63
Rot. Bonds5

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

1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one (PubChem CID 11583800) has the molecular formula C23H27ClN2O5S and a molecular weight of 479.00 g/mol. Its IUPAC name is 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one
PubChem CID11583800
Molecular FormulaC23H27ClN2O5S
Molecular Weight479.00 g/mol
Exact Mass478.13
IUPAC Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C23H27ClN2O5S/c24-18-6-4-17-14-20(7-5-16(17)13-18)32(30,31)15-21(27)23(29)25-11-8-19(9-12-25)26-10-2-1-3-22(26)28/h4-7,13-14,19,21,27H,1-3,8-12,15H2/t21-/m1/s1
InChIKeyDJHQIIXBVWGNBK-OAQYLSRUSA-N
XLogP2.63
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one (CID 11583800) is 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one?
The InChIKey is DJHQIIXBVWGNBK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27ClN2O5S/c24-18-6-4-17-14-20(7-5-16(17)13-18)32(30,31)15-21(27)23(29)25-11-8-19(9-12-25)26-10-2-1-3-22(26)28/h4-7,13-14,19,21,27H,1-3,8-12,15H2/t21-/m1/s1.
What are the key properties of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one?
1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one has a molecular weight of 479.00 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 11583800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).