4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one

C8H11ClN4O3S — CID 35301889

IUPAC4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCNC(=O)C2)c1Cl
InChIInChI=1S/C8H11ClN4O3S/c1-12-5-11-8(7(12)9)17(15,16)13-3-2-10-6(14)4-13/h5H,2-4H2,1H3,(H,10,14)
InChIKeyQLIFCWBXXMIMLH-UHFFFAOYSA-N
MW278.72 g/mol
LogP-0.81
Rot. Bonds2

About 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one

4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one (PubChem CID 35301889) has the molecular formula C8H11ClN4O3S and a molecular weight of 278.72 g/mol. Its IUPAC name is 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one
PubChem CID35301889
Molecular FormulaC8H11ClN4O3S
Molecular Weight278.72 g/mol
Exact Mass278.02
IUPAC Name4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCNC(=O)C2)c1Cl
InChIInChI=1S/C8H11ClN4O3S/c1-12-5-11-8(7(12)9)17(15,16)13-3-2-10-6(14)4-13/h5H,2-4H2,1H3,(H,10,14)
InChIKeyQLIFCWBXXMIMLH-UHFFFAOYSA-N
XLogP-0.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one (CID 35301889) is 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one is Cn1cnc(S(=O)(=O)N2CCNC(=O)C2)c1Cl.
What is the InChIKey of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one?
The InChIKey is QLIFCWBXXMIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O3S/c1-12-5-11-8(7(12)9)17(15,16)13-3-2-10-6(14)4-13/h5H,2-4H2,1H3,(H,10,14).
What are the key properties of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one?
4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one has a molecular weight of 278.72 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 35301889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).