5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide

C16H20FN3O2S — CID 134493442

IUPAC5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)c1cc(CC(C)c2ccc(F)cn2)cnc1S(N)(=O)=O
InChIInChI=1S/C16H20FN3O2S/c1-10(2)14-7-12(8-20-16(14)23(18,21)22)6-11(3)15-5-4-13(17)9-19-15/h4-5,7-11H,6H2,1-3H3,(H2,18,21,22)
InChIKeyAXZNOJWXOQFICD-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.73
Rot. Bonds5

About 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide

5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide (PubChem CID 134493442) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide
PubChem CID134493442
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide
SMILESCC(C)c1cc(CC(C)c2ccc(F)cn2)cnc1S(N)(=O)=O
InChIInChI=1S/C16H20FN3O2S/c1-10(2)14-7-12(8-20-16(14)23(18,21)22)6-11(3)15-5-4-13(17)9-19-15/h4-5,7-11H,6H2,1-3H3,(H2,18,21,22)
InChIKeyAXZNOJWXOQFICD-UHFFFAOYSA-N
XLogP2.73
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide (CID 134493442) is 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide is CC(C)c1cc(CC(C)c2ccc(F)cn2)cnc1S(N)(=O)=O.
What is the InChIKey of 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is AXZNOJWXOQFICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-10(2)14-7-12(8-20-16(14)23(18,21)22)6-11(3)15-5-4-13(17)9-19-15/h4-5,7-11H,6H2,1-3H3,(H2,18,21,22).
What are the key properties of 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide?
5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 134493442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).