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

C21H24ClN3O5S — CID 46889240

IUPAC1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C21H24ClN3O5S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(29,30)13-19(26)20(27)24-8-5-17(6-9-24)25-10-7-23-21(25)28/h1-4,11-12,17,19,26H,5-10,13H2,(H,23,28)/t19-/m1/s1
InChIKeyWQTGTUQAVHAPLG-LJQANCHMSA-N
MW465.96 g/mol
LogP1.64
Rot. Bonds5

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

1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 46889240) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID46889240
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C21H24ClN3O5S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(29,30)13-19(26)20(27)24-8-5-17(6-9-24)25-10-7-23-21(25)28/h1-4,11-12,17,19,26H,5-10,13H2,(H,23,28)/t19-/m1/s1
InChIKeyWQTGTUQAVHAPLG-LJQANCHMSA-N
XLogP1.64
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 51.64
H-Bond Donors ≤ 52
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]imidazolidin-2-one?
The IUPAC name of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one (CID 46889240) is 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is WQTGTUQAVHAPLG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(29,30)13-19(26)20(27)24-8-5-17(6-9-24)25-10-7-23-21(25)28/h1-4,11-12,17,19,26H,5-10,13H2,(H,23,28)/t19-/m1/s1.
What are the key properties of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 465.96 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 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]imidazolidin-2-one is sourced from PubChem (CID 46889240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).