[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

C11H14BrFN2O2S — CID 116527858

IUPAC[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C11H14BrFN2O2S/c12-9-1-2-11(10(13)5-9)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyZWIKPTQAHQEYDB-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.56
Rot. Bonds3

About [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 116527858) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID116527858
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C11H14BrFN2O2S/c12-9-1-2-11(10(13)5-9)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyZWIKPTQAHQEYDB-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215
1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 116528277
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
[1-(4-bromo-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971817
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 116527858) is [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is ZWIKPTQAHQEYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-9-1-2-11(10(13)5-9)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 337.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 116527858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).