7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride

C12H15ClN2O2S — CID 165493242

IUPAC7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride
SMILESCc1ccn2c(S(=O)(=O)Cl)c(CC(C)C)nc2c1
InChIInChI=1S/C12H15ClN2O2S/c1-8(2)6-10-12(18(13,16)17)15-5-4-9(3)7-11(15)14-10/h4-5,7-8H,6H2,1-3H3
InChIKeyDVKZMWBSWUWULA-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.77
Rot. Bonds3

About 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride

7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride (PubChem CID 165493242) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride
PubChem CID165493242
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride
SMILESCc1ccn2c(S(=O)(=O)Cl)c(CC(C)C)nc2c1
InChIInChI=1S/C12H15ClN2O2S/c1-8(2)6-10-12(18(13,16)17)15-5-4-9(3)7-11(15)14-10/h4-5,7-8H,6H2,1-3H3
InChIKeyDVKZMWBSWUWULA-UHFFFAOYSA-N
XLogP2.77
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride?
The IUPAC name of 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride (CID 165493242) is 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride.
What is the SMILES notation for 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride?
The canonical SMILES for 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride is Cc1ccn2c(S(=O)(=O)Cl)c(CC(C)C)nc2c1.
What is the InChIKey of 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride?
The InChIKey is DVKZMWBSWUWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-8(2)6-10-12(18(13,16)17)15-5-4-9(3)7-11(15)14-10/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride?
7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride has a molecular weight of 286.78 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonyl chloride is sourced from PubChem (CID 165493242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).