1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

C10H13ClN2O3S2 — CID 2566008

IUPAC1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3
InChIKeyLFGOPTUHDODAIB-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.25
Rot. Bonds2

About 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 2566008) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID2566008
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3
InChIKeyLFGOPTUHDODAIB-UHFFFAOYSA-N
XLogP1.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (CID 2566008) is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is LFGOPTUHDODAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 308.81 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 2566008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).