14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene

C17H23FN4O2S — CID 110201182

IUPAC14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene
SMILESCS(=O)(=O)N1CCCCCCn2c(nnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O2S/c1-25(23,24)21-11-4-2-3-5-12-22-16(10-13-21)19-20-17(22)14-6-8-15(18)9-7-14/h6-9H,2-5,10-13H2,1H3
InChIKeyRAMVLQIURJQBMO-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.46
Rot. Bonds2

About 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene

14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene (PubChem CID 110201182) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene.

Molecular Properties

Compound Name14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene
PubChem CID110201182
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC Name14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene
SMILESCS(=O)(=O)N1CCCCCCn2c(nnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O2S/c1-25(23,24)21-11-4-2-3-5-12-22-16(10-13-21)19-20-17(22)14-6-8-15(18)9-7-14/h6-9H,2-5,10-13H2,1H3
InChIKeyRAMVLQIURJQBMO-UHFFFAOYSA-N
XLogP2.46
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene 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 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene?
The IUPAC name of 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene (CID 110201182) is 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene.
What is the SMILES notation for 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene?
The canonical SMILES for 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene is CS(=O)(=O)N1CCCCCCn2c(nnc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene?
The InChIKey is RAMVLQIURJQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-25(23,24)21-11-4-2-3-5-12-22-16(10-13-21)19-20-17(22)14-6-8-15(18)9-7-14/h6-9H,2-5,10-13H2,1H3.
What are the key properties of 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene?
14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene has a molecular weight of 366.46 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene is sourced from PubChem (CID 110201182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).