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

C22H25ClN2O5S — CID 46222672

IUPAC1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C22H25ClN2O5S/c23-17-5-3-16-13-19(6-4-15(16)12-17)31(29,30)14-20(26)22(28)24-10-7-18(8-11-24)25-9-1-2-21(25)27/h3-6,12-13,18,20,26H,1-2,7-11,14H2/t20-/m1/s1
InChIKeyBFGHBLISMUXVNC-HXUWFJFHSA-N
MW464.97 g/mol
LogP2.24
Rot. Bonds5

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

1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 46222672) has the molecular formula C22H25ClN2O5S and a molecular weight of 464.97 g/mol. Its IUPAC name is 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID46222672
Molecular FormulaC22H25ClN2O5S
Molecular Weight464.97 g/mol
Exact Mass464.12
IUPAC Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C22H25ClN2O5S/c23-17-5-3-16-13-19(6-4-15(16)12-17)31(29,30)14-20(26)22(28)24-10-7-18(8-11-24)25-9-1-2-21(25)27/h3-6,12-13,18,20,26H,1-2,7-11,14H2/t20-/m1/s1
InChIKeyBFGHBLISMUXVNC-HXUWFJFHSA-N
XLogP2.24
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.97
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one (CID 46222672) is 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is BFGHBLISMUXVNC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25ClN2O5S/c23-17-5-3-16-13-19(6-4-15(16)12-17)31(29,30)14-20(26)22(28)24-10-7-18(8-11-24)25-9-1-2-21(25)27/h3-6,12-13,18,20,26H,1-2,7-11,14H2/t20-/m1/s1.
What are the key properties of 1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 464.97 g/mol, XLogP of 2.24, 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]pyrrolidin-2-one is sourced from PubChem (CID 46222672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).