3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride

C9H9ClN2O2S — CID 112552051

IUPAC3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride
SMILESCc1ccn2c(C)nc(S(=O)(=O)Cl)c2c1
InChIInChI=1S/C9H9ClN2O2S/c1-6-3-4-12-7(2)11-9(8(12)5-6)15(10,13)14/h3-5H,1-2H3
InChIKeyRTCFHZKNPHWMDY-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.88
Rot. Bonds1

About 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride

3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride (PubChem CID 112552051) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride.

Molecular Properties

Compound Name3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride
PubChem CID112552051
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride
SMILESCc1ccn2c(C)nc(S(=O)(=O)Cl)c2c1
InChIInChI=1S/C9H9ClN2O2S/c1-6-3-4-12-7(2)11-9(8(12)5-6)15(10,13)14/h3-5H,1-2H3
InChIKeyRTCFHZKNPHWMDY-UHFFFAOYSA-N
XLogP1.88
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The IUPAC name of 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride (CID 112552051) is 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride.
What is the SMILES notation for 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The canonical SMILES for 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride is Cc1ccn2c(C)nc(S(=O)(=O)Cl)c2c1.
What is the InChIKey of 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The InChIKey is RTCFHZKNPHWMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c1-6-3-4-12-7(2)11-9(8(12)5-6)15(10,13)14/h3-5H,1-2H3.
What are the key properties of 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride has a molecular weight of 244.70 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride is sourced from PubChem (CID 112552051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).