5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H12FN3O2S — CID 53145324

IUPAC5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H12FN3O2S/c13-9-1-3-10(4-2-9)19(17,18)16-6-5-11-12(7-16)15-8-14-11/h1-4,8H,5-7H2,(H,14,15)
InChIKeyCETQLYPYMUHYNZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds2

About 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145324) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145324
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H12FN3O2S/c13-9-1-3-10(4-2-9)19(17,18)16-6-5-11-12(7-16)15-8-14-11/h1-4,8H,5-7H2,(H,14,15)
InChIKeyCETQLYPYMUHYNZ-UHFFFAOYSA-N
XLogP1.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine 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-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145324) is 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is O=S(=O)(c1ccc(F)cc1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CETQLYPYMUHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-9-1-3-10(4-2-9)19(17,18)16-6-5-11-12(7-16)15-8-14-11/h1-4,8H,5-7H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 281.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).