1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine

C12H14Cl2N2O2S — CID 71758060

IUPAC1-[(E)-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/b12-11-
InChIKeyKNOPMIUVPFCVOG-QXMHVHEDSA-N
MW321.23 g/mol
LogP2.03
Rot. Bonds3

About 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine

1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine (PubChem CID 71758060) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine
PubChem CID71758060
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC Name1-[(E)-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/b12-11-
InChIKeyKNOPMIUVPFCVOG-QXMHVHEDSA-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-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine (CID 71758060) is 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine is O=S(=O)(/C(Cl)=C(\Cl)c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is KNOPMIUVPFCVOG-QXMHVHEDSA-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/b12-11-.
What are the key properties of 1-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine?
1-[(E)-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-[(E)-1,2-dichloro-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 71758060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).