4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one

C19H22ClN3O3S — CID 23447419

IUPAC4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1CC1CCNC1
InChIInChI=1S/C19H22ClN3O3S/c20-17-3-1-16-10-18(4-2-15(16)9-17)27(25,26)23-8-7-22(19(24)13-23)12-14-5-6-21-11-14/h1-4,9-10,14,21H,5-8,11-13H2
InChIKeyQSTXPDNYIJFMMA-UHFFFAOYSA-N
MW407.92 g/mol
LogP1.94
Rot. Bonds4

About 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one

4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one (PubChem CID 23447419) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one
PubChem CID23447419
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1CC1CCNC1
InChIInChI=1S/C19H22ClN3O3S/c20-17-3-1-16-10-18(4-2-15(16)9-17)27(25,26)23-8-7-22(19(24)13-23)12-14-5-6-21-11-14/h1-4,9-10,14,21H,5-8,11-13H2
InChIKeyQSTXPDNYIJFMMA-UHFFFAOYSA-N
XLogP1.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]cyclohexyl]ethanimidamide
CID 23447346
4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(piperidin-4-ylmethyl)piperazin-2-one
CID 67014811
6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 23447339
4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxo-1,4-diazepan-1-yl]methyl]benzonitrile
CID 23447306
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate
CID 22727188
6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carboximidamide;dihydrochloride
CID 23447407
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]methylamino]piperazin-2-one
CID 22727130
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
CID 5289586
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(morpholine-4-carboximidoyl)phenyl]methyl]piperazin-2-one;hydrochloride
CID 23447518
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[ethyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one
CID 22727119
2-[4-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidin-1-yl]acetamide
CID 67014253
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one
CID 23447600

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one?
The IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one (CID 23447419) is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one is O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1CC1CCNC1.
What is the InChIKey of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one?
The InChIKey is QSTXPDNYIJFMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-17-3-1-16-10-18(4-2-15(16)9-17)27(25,26)23-8-7-22(19(24)13-23)12-14-5-6-21-11-14/h1-4,9-10,14,21H,5-8,11-13H2.
What are the key properties of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one?
4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one has a molecular weight of 407.92 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 23447419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).