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

C22H26ClN3O5S — CID 59824041

IUPAC1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(C2CCN(C(=O)C(O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)C1=O
InChIInChI=1S/C22H26ClN3O5S/c1-24-10-11-26(22(24)29)18-6-8-25(9-7-18)21(28)20(27)14-32(30,31)19-5-3-15-12-17(23)4-2-16(15)13-19/h2-5,12-13,18,20,27H,6-11,14H2,1H3
InChIKeySWWFUMBGCIEVGT-UHFFFAOYSA-N
MW479.99 g/mol
LogP1.99
Rot. Bonds5

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

1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one (PubChem CID 59824041) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one
PubChem CID59824041
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC Name1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(C2CCN(C(=O)C(O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)C1=O
InChIInChI=1S/C22H26ClN3O5S/c1-24-10-11-26(22(24)29)18-6-8-25(9-7-18)21(28)20(27)14-32(30,31)19-5-3-15-12-17(23)4-2-16(15)13-19/h2-5,12-13,18,20,27H,6-11,14H2,1H3
InChIKeySWWFUMBGCIEVGT-UHFFFAOYSA-N
XLogP1.99
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one (CID 59824041) is 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one is CN1CCN(C2CCN(C(=O)C(O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)C1=O.
What is the InChIKey of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is SWWFUMBGCIEVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-24-10-11-26(22(24)29)18-6-8-25(9-7-18)21(28)20(27)14-32(30,31)19-5-3-15-12-17(23)4-2-16(15)13-19/h2-5,12-13,18,20,27H,6-11,14H2,1H3.
What are the key properties of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 479.99 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 59824041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).