1-(3,4-dichlorophenyl)sulfonylpiperazine

C10H12Cl2N2O2S — CID 2565881

IUPAC1-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C10H12Cl2N2O2S/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyMBRYMRUOJNZKCW-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.59
Rot. Bonds2

About 1-(3,4-dichlorophenyl)sulfonylpiperazine

1-(3,4-dichlorophenyl)sulfonylpiperazine (PubChem CID 2565881) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonylpiperazine
PubChem CID2565881
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name1-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C10H12Cl2N2O2S/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyMBRYMRUOJNZKCW-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonylpiperazine (CID 2565881) is 1-(3,4-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonylpiperazine?
The InChIKey is MBRYMRUOJNZKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonylpiperazine?
1-(3,4-dichlorophenyl)sulfonylpiperazine has a molecular weight of 295.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2565881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).