1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine

C12H12Cl2N2O4S4 — CID 5059986

IUPAC1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H12Cl2N2O4S4/c13-9-1-3-11(21-9)23(17,18)15-5-7-16(8-6-15)24(19,20)12-4-2-10(14)22-12/h1-4H,5-8H2
InChIKeyVSWOTIJDRMNRPR-UHFFFAOYSA-N
MW447.41 g/mol
LogP2.81
Rot. Bonds4

About 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine

1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine (PubChem CID 5059986) has the molecular formula C12H12Cl2N2O4S4 and a molecular weight of 447.41 g/mol. Its IUPAC name is 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine
PubChem CID5059986
Molecular FormulaC12H12Cl2N2O4S4
Molecular Weight447.41 g/mol
Exact Mass445.91
IUPAC Name1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H12Cl2N2O4S4/c13-9-1-3-11(21-9)23(17,18)15-5-7-16(8-6-15)24(19,20)12-4-2-10(14)22-12/h1-4H,5-8H2
InChIKeyVSWOTIJDRMNRPR-UHFFFAOYSA-N
XLogP2.81
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine?
The IUPAC name of 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine (CID 5059986) is 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine.
What is the SMILES notation for 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine?
The canonical SMILES for 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine?
The InChIKey is VSWOTIJDRMNRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4S4/c13-9-1-3-11(21-9)23(17,18)15-5-7-16(8-6-15)24(19,20)12-4-2-10(14)22-12/h1-4H,5-8H2.
What are the key properties of 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine?
1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine has a molecular weight of 447.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(5-chlorothiophen-2-yl)sulfonyl]piperazine is sourced from PubChem (CID 5059986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).