7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride

C11H13ClN2O3S — CID 112552680

IUPAC7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride
SMILESCOc1ccn2c(C(C)C)nc(S(=O)(=O)Cl)c2c1
InChIInChI=1S/C11H13ClN2O3S/c1-7(2)10-13-11(18(12,15)16)9-6-8(17-3)4-5-14(9)10/h4-7H,1-3H3
InChIKeyXQLGIRIURXQWBT-UHFFFAOYSA-N
MW288.76 g/mol
LogP2.39
Rot. Bonds3

About 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride

7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride (PubChem CID 112552680) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride.

Molecular Properties

Compound Name7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride
PubChem CID112552680
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride
SMILESCOc1ccn2c(C(C)C)nc(S(=O)(=O)Cl)c2c1
InChIInChI=1S/C11H13ClN2O3S/c1-7(2)10-13-11(18(12,15)16)9-6-8(17-3)4-5-14(9)10/h4-7H,1-3H3
InChIKeyXQLGIRIURXQWBT-UHFFFAOYSA-N
XLogP2.39
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The IUPAC name of 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride (CID 112552680) is 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride.
What is the SMILES notation for 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The canonical SMILES for 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride is COc1ccn2c(C(C)C)nc(S(=O)(=O)Cl)c2c1.
What is the InChIKey of 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The InChIKey is XQLGIRIURXQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-7(2)10-13-11(18(12,15)16)9-6-8(17-3)4-5-14(9)10/h4-7H,1-3H3.
What are the key properties of 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride?
7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride has a molecular weight of 288.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propan-2-ylimidazo[1,5-a]pyridine-1-sulfonyl chloride is sourced from PubChem (CID 112552680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).