1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine

C14H15ClN2O2S2 — CID 769077

IUPAC1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-3-1-4-13(11-12)16-6-8-17(9-7-16)21(18,19)14-5-2-10-20-14/h1-5,10-11H,6-9H2
InChIKeyRLFYWSUZTBYMEH-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.91
Rot. Bonds3

About 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine

1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 769077) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID769077
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-3-1-4-13(11-12)16-6-8-17(9-7-16)21(18,19)14-5-2-10-20-14/h1-5,10-11H,6-9H2
InChIKeyRLFYWSUZTBYMEH-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 769077) is 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is RLFYWSUZTBYMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-12-3-1-4-13(11-12)16-6-8-17(9-7-16)21(18,19)14-5-2-10-20-14/h1-5,10-11H,6-9H2.
What are the key properties of 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 342.87 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 769077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).