8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane

C15H16F2N4O2S — CID 121178385

IUPAC8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cc(F)ccc1F)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C15H16F2N4O2S/c16-10-1-4-14(17)15(7-10)24(22,23)20-11-2-3-12(20)9-13(8-11)21-18-5-6-19-21/h1,4-7,11-13H,2-3,8-9H2
InChIKeySAEPSFSWYJNPAT-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.11
Rot. Bonds3

About 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane

8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 121178385) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
PubChem CID121178385
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cc(F)ccc1F)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C15H16F2N4O2S/c16-10-1-4-14(17)15(7-10)24(22,23)20-11-2-3-12(20)9-13(8-11)21-18-5-6-19-21/h1,4-7,11-13H,2-3,8-9H2
InChIKeySAEPSFSWYJNPAT-UHFFFAOYSA-N
XLogP2.11
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane (CID 121178385) is 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane is O=S(=O)(c1cc(F)ccc1F)N1C2CCC1CC(n1nccn1)C2.
What is the InChIKey of 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is SAEPSFSWYJNPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c16-10-1-4-14(17)15(7-10)24(22,23)20-11-2-3-12(20)9-13(8-11)21-18-5-6-19-21/h1,4-7,11-13H,2-3,8-9H2.
What are the key properties of 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 354.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorophenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121178385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).