[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

C11H13BrF2N2O2S — CID 62063051

IUPAC[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrF2N2O2S/c12-9-3-8(13)4-10(14)11(9)19(17,18)16-2-1-7(5-15)6-16/h3-4,7H,1-2,5-6,15H2
InChIKeyWUOQWVYZMYGTNH-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.70
Rot. Bonds3

About [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 62063051) has the molecular formula C11H13BrF2N2O2S and a molecular weight of 355.20 g/mol. Its IUPAC name is [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID62063051
Molecular FormulaC11H13BrF2N2O2S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrF2N2O2S/c12-9-3-8(13)4-10(14)11(9)19(17,18)16-2-1-7(5-15)6-16/h3-4,7H,1-2,5-6,15H2
InChIKeyWUOQWVYZMYGTNH-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 62063051) is [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1.
What is the InChIKey of [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is WUOQWVYZMYGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2S/c12-9-3-8(13)4-10(14)11(9)19(17,18)16-2-1-7(5-15)6-16/h3-4,7H,1-2,5-6,15H2.
What are the key properties of [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 355.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62063051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).