1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

C15H20Cl3N3O3S — CID 120712891

IUPAC1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2N3O3S.ClH/c16-11-3-4-14(13(17)8-11)24(22,23)19-6-1-2-12(10-19)20-7-5-18-9-15(20)21;/h3-4,8,12,18H,1-2,5-7,9-10H2;1H
InChIKeyBMSNWKHQHBUHLP-UHFFFAOYSA-N
MW428.77 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (PubChem CID 120712891) has the molecular formula C15H20Cl3N3O3S and a molecular weight of 428.77 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
PubChem CID120712891
Molecular FormulaC15H20Cl3N3O3S
Molecular Weight428.77 g/mol
Exact Mass427.03
IUPAC Name1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H19Cl2N3O3S.ClH/c16-11-3-4-14(13(17)8-11)24(22,23)19-6-1-2-12(10-19)20-7-5-18-9-15(20)21;/h3-4,8,12,18H,1-2,5-7,9-10H2;1H
InChIKeyBMSNWKHQHBUHLP-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712913
1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 126785320
3-methoxy-4-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 120875722
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
1-[1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 46853680
1-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712921
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
CID 124880693
1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
CID 136561193
1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712917

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (CID 120712891) is 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The InChIKey is BMSNWKHQHBUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3S.ClH/c16-11-3-4-14(13(17)8-11)24(22,23)19-6-1-2-12(10-19)20-7-5-18-9-15(20)21;/h3-4,8,12,18H,1-2,5-7,9-10H2;1H.
What are the key properties of 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride has a molecular weight of 428.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120712891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).