1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine

C10H12BrFN2O2S — CID 55030126

IUPAC1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-5-7(12)1-2-10(9)17(15,16)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2
InChIKeyWUPXZDWGFPSPAE-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.31
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine

1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 55030126) has the molecular formula C10H12BrFN2O2S and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
PubChem CID55030126
Molecular FormulaC10H12BrFN2O2S
Molecular Weight323.19 g/mol
Exact Mass321.98
IUPAC Name1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C10H12BrFN2O2S/c11-9-5-7(12)1-2-10(9)17(15,16)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2
InChIKeyWUPXZDWGFPSPAE-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.31
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-fluorophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine (CID 55030126) is 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine is NC1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is WUPXZDWGFPSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2S/c11-9-5-7(12)1-2-10(9)17(15,16)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine?
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 323.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 55030126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).