4-(2-chlorophenyl)sulfonylpiperazin-2-one

C10H11ClN2O3S — CID 7509966

IUPAC4-(2-chlorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2Cl)CCN1
InChIInChI=1S/C10H11ClN2O3S/c11-8-3-1-2-4-9(8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7H2,(H,12,14)
InChIKeyISASOANNNGVPRQ-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.46
Rot. Bonds2

About 4-(2-chlorophenyl)sulfonylpiperazin-2-one

4-(2-chlorophenyl)sulfonylpiperazin-2-one (PubChem CID 7509966) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonylpiperazin-2-one
PubChem CID7509966
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name4-(2-chlorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2Cl)CCN1
InChIInChI=1S/C10H11ClN2O3S/c11-8-3-1-2-4-9(8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7H2,(H,12,14)
InChIKeyISASOANNNGVPRQ-UHFFFAOYSA-N
XLogP0.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 801806
1-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
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4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
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2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
1-[4-(4-Chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2572434
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
1-[(2,5-Dichlorophenyl)sulfonyl]piperazine
CID 3734885
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)-2-piperazinone
CID 9397001
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2214119

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2-chlorophenyl)sulfonylpiperazin-2-one (CID 7509966) is 4-(2-chlorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2ccccc2Cl)CCN1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonylpiperazin-2-one?
The InChIKey is ISASOANNNGVPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-8-3-1-2-4-9(8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7H2,(H,12,14).
What are the key properties of 4-(2-chlorophenyl)sulfonylpiperazin-2-one?
4-(2-chlorophenyl)sulfonylpiperazin-2-one has a molecular weight of 274.73 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 7509966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).