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

C21H24ClN3O5S — CID 75227806

IUPAC1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(C(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)
InChIKeyWQTGTUQAVHAPLG-UHFFFAOYSA-N
MW465.96 g/mol
LogP1.64
Rot. Bonds5

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

1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 75227806) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID75227806
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(C(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)
InChIKeyWQTGTUQAVHAPLG-UHFFFAOYSA-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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Related Compounds

(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1,3-diazinan-1-yl)piperidin-1-yl]-2-hydroxypropan-1-one
CID 141131326
3-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-oxazolidin-2-one
CID 59347367
[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-5-oxo-7H-imidazo[1,5-c]imidazol-3-yl]methyl 3-[butanoyl(methyl)amino]propanoate
CID 66853358
N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 66853350
[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]-ethylcarbamic acid
CID 66853000
[2-[(6-chloronaphthalen-2-yl)sulfonylmethyl]-3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamic acid
CID 69444780
phenyl N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123894347
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66853029
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854284
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 66852881
N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 51965937
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
CID 91258829

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one (CID 75227806) is 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one is O=C(C(O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is WQTGTUQAVHAPLG-UHFFFAOYSA-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).
What are the key properties of 1-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[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-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 75227806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).