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

C8H11Cl3N2O2S2 — CID 46743477

IUPAC1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cc(Cl)sc1Cl)N1CCNCC1
InChIInChI=1S/C8H10Cl2N2O2S2.ClH/c9-7-5-6(8(10)15-7)16(13,14)12-3-1-11-2-4-12;/h5,11H,1-4H2;1H
InChIKeyAHILLARLDXHKGI-UHFFFAOYSA-N
MW337.68 g/mol
LogP2.07
Rot. Bonds2

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

1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride (PubChem CID 46743477) has the molecular formula C8H11Cl3N2O2S2 and a molecular weight of 337.68 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
PubChem CID46743477
Molecular FormulaC8H11Cl3N2O2S2
Molecular Weight337.68 g/mol
Exact Mass335.93
IUPAC Name1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cc(Cl)sc1Cl)N1CCNCC1
InChIInChI=1S/C8H10Cl2N2O2S2.ClH/c9-7-5-6(8(10)15-7)16(13,14)12-3-1-11-2-4-12;/h5,11H,1-4H2;1H
InChIKeyAHILLARLDXHKGI-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 52.07
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;hydrochloride?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride (CID 46743477) is 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cc(Cl)sc1Cl)N1CCNCC1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is AHILLARLDXHKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S2.ClH/c9-7-5-6(8(10)15-7)16(13,14)12-3-1-11-2-4-12;/h5,11H,1-4H2;1H.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride?
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 2.07, 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;hydrochloride is sourced from PubChem (CID 46743477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).