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

C19H19F2NO3S — CID 3228811

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

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

3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 3228811) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID3228811
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1ccccc1F)N1C2CCC1CC(O)(c1ccccc1F)C2
InChIInChI=1S/C19H19F2NO3S/c20-16-6-2-1-5-15(16)19(23)11-13-9-10-14(12-19)22(13)26(24,25)18-8-4-3-7-17(18)21/h1-8,13-14,23H,9-12H2
InChIKeyTXXWRJCGMKQDRA-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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Related Compounds

1,1,1-trifluoro-2-(4-((S)-2-methylpiperidin-1-ylsulfonyl)phenyl)propan-2-ol
CID 11609989
4-(2,4-Difluorophenethyl)-1-(4-fluorophenylsulfonyl)piperidin-4-ol
CID 44411674
(1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46880617
4-(3-{[Sec-butyl(methyl)amino]methyl}phenyl)-1-[(4-fluorophenyl)sulfonyl]piperidin-4-ol
CID 3238062
4-Phenyl-1-(phenylsulfonyl)decahydro-4-quinolinol
CID 625844
{1-[(4-Methylphenyl)sulfonyl]-2-pyrrolidinyl}(diphenyl)methanol
CID 6547133
4-Phenyl-1-(p-tolylsulphonyl)piperidin-4-ol
CID 98752
1,1-Difluoro-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-phenylpropan-2-ol
CID 166441527
3-(3-Fluorophenyl)-8-(4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3230888
3-(3-Fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3230899
4-Benzyl-1-(2-fluorophenyl)sulfonylpiperidin-4-ol
CID 6733567
[1-(2-Fluorophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 6736941

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 3228811) is 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(c1ccccc1F)N1C2CCC1CC(O)(c1ccccc1F)C2.
What is the InChIKey of 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is TXXWRJCGMKQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c20-16-6-2-1-5-15(16)19(23)11-13-9-10-14(12-19)22(13)26(24,25)18-8-4-3-7-17(18)21/h1-8,13-14,23H,9-12H2.
What are the key properties of 3-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-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-(2-fluorophenyl)-8-(2-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 3228811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).