8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide

C13H18FN3O2S — CID 112552534

IUPAC8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide
SMILESCCCc1nc(S(=O)(=O)NC(C)C)c2c(F)cccn12
InChIInChI=1S/C13H18FN3O2S/c1-4-6-11-15-13(20(18,19)16-9(2)3)12-10(14)7-5-8-17(11)12/h5,7-9,16H,4,6H2,1-3H3
InChIKeyYYIQQHNHCHDDBS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.11
Rot. Bonds5

About 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide

8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide (PubChem CID 112552534) has the molecular formula C13H18FN3O2S and a molecular weight of 299.37 g/mol. Its IUPAC name is 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide
PubChem CID112552534
Molecular FormulaC13H18FN3O2S
Molecular Weight299.37 g/mol
Exact Mass299.11
IUPAC Name8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide
SMILESCCCc1nc(S(=O)(=O)NC(C)C)c2c(F)cccn12
InChIInChI=1S/C13H18FN3O2S/c1-4-6-11-15-13(20(18,19)16-9(2)3)12-10(14)7-5-8-17(11)12/h5,7-9,16H,4,6H2,1-3H3
InChIKeyYYIQQHNHCHDDBS-UHFFFAOYSA-N
XLogP2.11
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide?
The IUPAC name of 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide (CID 112552534) is 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide.
What is the SMILES notation for 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide?
The canonical SMILES for 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide is CCCc1nc(S(=O)(=O)NC(C)C)c2c(F)cccn12.
What is the InChIKey of 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide?
The InChIKey is YYIQQHNHCHDDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2S/c1-4-6-11-15-13(20(18,19)16-9(2)3)12-10(14)7-5-8-17(11)12/h5,7-9,16H,4,6H2,1-3H3.
What are the key properties of 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide?
8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide has a molecular weight of 299.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-propan-2-yl-3-propylimidazo[1,5-a]pyridine-1-sulfonamide is sourced from PubChem (CID 112552534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).