4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine

C11H14ClN3O2S — CID 103385931

IUPAC4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine
SMILESCC(CCCl)S(=O)(=O)c1nccc2c1ncn2C
InChIInChI=1S/C11H14ClN3O2S/c1-8(3-5-12)18(16,17)11-10-9(4-6-13-11)15(2)7-14-10/h4,6-8H,3,5H2,1-2H3
InChIKeyKEJFYZKQISTOEA-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.76
Rot. Bonds4

About 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine

4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine (PubChem CID 103385931) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine
PubChem CID103385931
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine
SMILESCC(CCCl)S(=O)(=O)c1nccc2c1ncn2C
InChIInChI=1S/C11H14ClN3O2S/c1-8(3-5-12)18(16,17)11-10-9(4-6-13-11)15(2)7-14-10/h4,6-8H,3,5H2,1-2H3
InChIKeyKEJFYZKQISTOEA-UHFFFAOYSA-N
XLogP1.76
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine (CID 103385931) is 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine is CC(CCCl)S(=O)(=O)c1nccc2c1ncn2C.
What is the InChIKey of 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine?
The InChIKey is KEJFYZKQISTOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-8(3-5-12)18(16,17)11-10-9(4-6-13-11)15(2)7-14-10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine?
4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine has a molecular weight of 287.77 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutan-2-ylsulfonyl)-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 103385931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).