9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane

C13H17FN2O2S — CID 120719189

IUPAC9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1ccc(F)cc1)N1C2CCNCC1CC2
InChIInChI=1S/C13H17FN2O2S/c14-10-1-5-13(6-2-10)19(17,18)16-11-3-4-12(16)9-15-8-7-11/h1-2,5-6,11-12,15H,3-4,7-9H2
InChIKeyJZSQXWLOIVFLAE-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.34
Rot. Bonds2

About 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane

9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 120719189) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID120719189
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1ccc(F)cc1)N1C2CCNCC1CC2
InChIInChI=1S/C13H17FN2O2S/c14-10-1-5-13(6-2-10)19(17,18)16-11-3-4-12(16)9-15-8-7-11/h1-2,5-6,11-12,15H,3-4,7-9H2
InChIKeyJZSQXWLOIVFLAE-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane with MolForge

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

Launch Full Analysis

Related Compounds

9-(4-methylsulfonylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719614
9-(4-phenylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719324
9-(3,4-dimethylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719391
9-(4-propan-2-yloxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719820
9-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719776
9-[(4-fluorophenyl)methylsulfonyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719310
9-(4-fluoro-3,5-dimethylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719779
9-(4-ethoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719292
9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719704
methyl 4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)benzoate;hydrochloride
CID 120719611
9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719570
N-[5-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-2-fluorophenyl]acetamide
CID 120719668

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane (CID 120719189) is 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane is O=S(=O)(c1ccc(F)cc1)N1C2CCNCC1CC2.
What is the InChIKey of 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is JZSQXWLOIVFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c14-10-1-5-13(6-2-10)19(17,18)16-11-3-4-12(16)9-15-8-7-11/h1-2,5-6,11-12,15H,3-4,7-9H2.
What are the key properties of 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane?
9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 284.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 120719189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).