1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine

C8H10Cl2N2O2S2 — CID 43344137

IUPAC1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCNCC1
InChIInChI=1S/C8H10Cl2N2O2S2/c9-7-5-6(8(10)15-7)16(13,14)12-3-1-11-2-4-12/h5,11H,1-4H2
InChIKeyMZYYCYUXLGICCV-UHFFFAOYSA-N
MW301.22 g/mol
LogP1.65
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine

1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine (PubChem CID 43344137) has the molecular formula C8H10Cl2N2O2S2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
PubChem CID43344137
Molecular FormulaC8H10Cl2N2O2S2
Molecular Weight301.22 g/mol
Exact Mass299.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCNCC1
InChIInChI=1S/C8H10Cl2N2O2S2/c9-7-5-6(8(10)15-7)16(13,14)12-3-1-11-2-4-12/h5,11H,1-4H2
InChIKeyMZYYCYUXLGICCV-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine (CID 43344137) is 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine is O=S(=O)(c1cc(Cl)sc1Cl)N1CCNCC1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
The InChIKey is MZYYCYUXLGICCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S2/c9-7-5-6(8(10)15-7)16(13,14)12-3-1-11-2-4-12/h5,11H,1-4H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine has a molecular weight of 301.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine is sourced from PubChem (CID 43344137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).