8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

C13H15BrF2N2O2S — CID 61235732

IUPAC8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2S/c14-11-3-7(15)4-12(16)13(11)21(19,20)18-9-1-2-10(18)6-8(17)5-9/h3-4,8-10H,1-2,5-6,17H2
InChIKeyWRCZTNXOECFFNA-UHFFFAOYSA-N
MW381.24 g/mol
LogP2.37
Rot. Bonds2

About 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61235732) has the molecular formula C13H15BrF2N2O2S and a molecular weight of 381.24 g/mol. Its IUPAC name is 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61235732
Molecular FormulaC13H15BrF2N2O2S
Molecular Weight381.24 g/mol
Exact Mass380.00
IUPAC Name8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2S/c14-11-3-7(15)4-12(16)13(11)21(19,20)18-9-1-2-10(18)6-8(17)5-9/h3-4,8-10H,1-2,5-6,17H2
InChIKeyWRCZTNXOECFFNA-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

(2S,6R)-1-(2-bromo-4,6-difluorophenyl)sulfonyl-2,6-dimethylpiperidine
CID 104968320
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
CID 43605515
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233880
2-bromo-4,6-difluorobenzenesulfonyl fluoride
CID 99939039
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine
CID 54917710
8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235921
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 63846387
1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300442
8-(3-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235169
8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61236109
1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61235732) is 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WRCZTNXOECFFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2S/c14-11-3-7(15)4-12(16)13(11)21(19,20)18-9-1-2-10(18)6-8(17)5-9/h3-4,8-10H,1-2,5-6,17H2.
What are the key properties of 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 381.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61235732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).