3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C19H19F2NO3S — CID 3230899

IUPAC3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1ccccc1F)N1C2CCC1CC(O)(c1cccc(F)c1)C2
InChIInChI=1S/C19H19F2NO3S/c20-14-5-3-4-13(10-14)19(23)11-15-8-9-16(12-19)22(15)26(24,25)18-7-2-1-6-17(18)21/h1-7,10,15-16,23H,8-9,11-12H2
InChIKeyBPZFBIHVXSVPAI-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.17
Rot. Bonds3

About 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 3230899) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID3230899
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1ccccc1F)N1C2CCC1CC(O)(c1cccc(F)c1)C2
InChIInChI=1S/C19H19F2NO3S/c20-14-5-3-4-13(10-14)19(23)11-15-8-9-16(12-19)22(15)26(24,25)18-7-2-1-6-17(18)21/h1-7,10,15-16,23H,8-9,11-12H2
InChIKeyBPZFBIHVXSVPAI-UHFFFAOYSA-N
XLogP3.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 3230899) is 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(c1ccccc1F)N1C2CCC1CC(O)(c1cccc(F)c1)C2.
What is the InChIKey of 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BPZFBIHVXSVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c20-14-5-3-4-13(10-14)19(23)11-15-8-9-16(12-19)22(15)26(24,25)18-7-2-1-6-17(18)21/h1-7,10,15-16,23H,8-9,11-12H2.
What are the key properties of 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 379.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 3230899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).