1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine

C12H16Cl2N2O2S — CID 120725527

IUPAC1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCC1NCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1C
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-9(2)16(6-5-15-8)19(17,18)12-4-3-10(13)7-11(12)14/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyFNCRLPJLRAVRJO-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine

1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine (PubChem CID 120725527) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
PubChem CID120725527
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCC1NCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1C
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-9(2)16(6-5-15-8)19(17,18)12-4-3-10(13)7-11(12)14/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyFNCRLPJLRAVRJO-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706
methyl 3-chloro-4-(2,3-dimethylpiperazin-1-yl)sulfonylbenzoate
CID 120726046
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725989
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
1-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120726028
1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725927
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120725488

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine (CID 120725527) is 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine is CC1NCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1C.
What is the InChIKey of 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
The InChIKey is FNCRLPJLRAVRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-8-9(2)16(6-5-15-8)19(17,18)12-4-3-10(13)7-11(12)14/h3-4,7-9,15H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine has a molecular weight of 323.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120725527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).