1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine

C12H16Cl2N2O2S — CID 120726080

IUPAC1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCC1NCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1C
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-9(2)16(4-3-15-8)19(17,18)12-6-10(13)5-11(14)7-12/h5-9,15H,3-4H2,1-2H3
InChIKeyPNMDNZJDFZJZTO-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.36
Rot. Bonds2

About 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine

1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine (PubChem CID 120726080) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
PubChem CID120726080
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCC1NCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1C
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-9(2)16(4-3-15-8)19(17,18)12-6-10(13)5-11(14)7-12/h5-9,15H,3-4H2,1-2H3
InChIKeyPNMDNZJDFZJZTO-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine (CID 120726080) is 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine is CC1NCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1C.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
The InChIKey is PNMDNZJDFZJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-8-9(2)16(4-3-15-8)19(17,18)12-6-10(13)5-11(14)7-12/h5-9,15H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine?
1-(3,5-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-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120726080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).