1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine

C11H14Cl2N2O2S — CID 65448622

IUPAC1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2O2S/c1-8-7-15(6-5-14-8)18(16,17)11-9(12)3-2-4-10(11)13/h2-4,8,14H,5-7H2,1H3
InChIKeyPBUBWUQJLLNRRY-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.98
Rot. Bonds2

About 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine

1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine (PubChem CID 65448622) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
PubChem CID65448622
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1
InChIInChI=1S/C11H14Cl2N2O2S/c1-8-7-15(6-5-14-8)18(16,17)11-9(12)3-2-4-10(11)13/h2-4,8,14H,5-7H2,1H3
InChIKeyPBUBWUQJLLNRRY-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-nitrophenyl)sulfonyl-3-methylpiperazine
CID 119982023
1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63874253
1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 119982062
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine (CID 65448622) is 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine is CC1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCN1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine?
The InChIKey is PBUBWUQJLLNRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-8-7-15(6-5-14-8)18(16,17)11-9(12)3-2-4-10(11)13/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine?
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine has a molecular weight of 309.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 65448622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).