1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine

C12H14Cl2N2O2S — CID 112547096

IUPAC1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine
SMILESO=S(=O)(C(Cl)=C(Cl)c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O2S/c13-11(10-4-2-1-3-5-10)12(14)19(17,18)16-8-6-15-7-9-16/h1-5,15H,6-9H2
InChIKeyKNOPMIUVPFCVOG-UHFFFAOYSA-N
MW321.23 g/mol
LogP2.03
Rot. Bonds3

About 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine

1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine (PubChem CID 112547096) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine
PubChem CID112547096
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC Name1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine
SMILESO=S(=O)(C(Cl)=C(Cl)c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O2S/c13-11(10-4-2-1-3-5-10)12(14)19(17,18)16-8-6-15-7-9-16/h1-5,15H,6-9H2
InChIKeyKNOPMIUVPFCVOG-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine?
The IUPAC name of 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine (CID 112547096) is 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine is O=S(=O)(C(Cl)=C(Cl)c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine?
The InChIKey is KNOPMIUVPFCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S/c13-11(10-4-2-1-3-5-10)12(14)19(17,18)16-8-6-15-7-9-16/h1-5,15H,6-9H2.
What are the key properties of 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine?
1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine has a molecular weight of 321.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dichloro-2-phenylethenyl)sulfonylpiperazine is sourced from PubChem (CID 112547096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).