4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one

C11H13ClN2O3S — CID 110708129

IUPAC4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C11H13ClN2O3S/c1-13-6-7-14(8-11(13)15)18(16,17)10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3
InChIKeyOFDSWZWDGDTXRX-UHFFFAOYSA-N
MW288.76 g/mol
LogP0.80
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one

4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one (PubChem CID 110708129) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
PubChem CID110708129
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C11H13ClN2O3S/c1-13-6-7-14(8-11(13)15)18(16,17)10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3
InChIKeyOFDSWZWDGDTXRX-UHFFFAOYSA-N
XLogP0.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 64682605
4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708179
(9aR)-2-(4-chlorophenyl)sulfonyl-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56858855
4-(3-fluoro-4-nitrophenyl)sulfonyl-1-methylpiperazin-2-one
CID 82847301
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
2-methyl-4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzonitrile
CID 106833379
4-(3-amino-4-nitrophenyl)sulfonyl-1-methylpiperazin-2-one
CID 82847429
1-(4-chlorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 110799587
4-[2-(chloromethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
CID 114264391
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-1-methylpiperazin-2-one
CID 64693296
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 130186824

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one (CID 110708129) is 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one is CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one?
The InChIKey is OFDSWZWDGDTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-13-6-7-14(8-11(13)15)18(16,17)10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one?
4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one has a molecular weight of 288.76 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one is sourced from PubChem (CID 110708129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).