5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole

C8H12ClN3O2S — CID 35289039

IUPAC5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
SMILESCn1cnc(S(=O)(=O)N2CCCC2)c1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-11-6-10-8(7(11)9)15(13,14)12-4-2-3-5-12/h6H,2-5H2,1H3
InChIKeySLBGJUPJOMJOMU-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.86
Rot. Bonds2

About 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole

5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole (PubChem CID 35289039) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
PubChem CID35289039
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
SMILESCn1cnc(S(=O)(=O)N2CCCC2)c1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-11-6-10-8(7(11)9)15(13,14)12-4-2-3-5-12/h6H,2-5H2,1H3
InChIKeySLBGJUPJOMJOMU-UHFFFAOYSA-N
XLogP0.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
The IUPAC name of 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole (CID 35289039) is 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole.
What is the SMILES notation for 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
The canonical SMILES for 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole is Cn1cnc(S(=O)(=O)N2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
The InChIKey is SLBGJUPJOMJOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-11-6-10-8(7(11)9)15(13,14)12-4-2-3-5-12/h6H,2-5H2,1H3.
What are the key properties of 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole?
5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole has a molecular weight of 249.72 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole is sourced from PubChem (CID 35289039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).