4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one

C12H14Cl2N2O3S — CID 63607088

IUPAC4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3S/c1-12(2)11(17)15-3-4-16(12)20(18,19)10-6-8(13)5-9(14)7-10/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyXUXWMYPJZMBELC-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.89
Rot. Bonds2

About 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one

4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one (PubChem CID 63607088) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
PubChem CID63607088
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3S/c1-12(2)11(17)15-3-4-16(12)20(18,19)10-6-8(13)5-9(14)7-10/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyXUXWMYPJZMBELC-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63606748
4-(3-amino-4-fluorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63594928
4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
CID 63601777
4-(4-bromo-3-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607782
4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 81441158
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607121
3-chloro-4-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylbenzonitrile
CID 103989389
4-ethylsulfonyl-3,3-dimethylpiperazin-2-one
CID 63607786
4-(2-amino-4-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63594591
4-(5-amino-2,4-difluorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63595442
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614462

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one (CID 63607088) is 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
The InChIKey is XUXWMYPJZMBELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-12(2)11(17)15-3-4-16(12)20(18,19)10-6-8(13)5-9(14)7-10/h5-7H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one has a molecular weight of 337.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).