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

C11H14BrFN2O2S — CID 103828949

IUPAC[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-2-1-9(5-11(10)13)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyPHXCLBMFULDDET-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.56
Rot. Bonds3

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

[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 103828949) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is [1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID103828949
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-2-1-9(5-11(10)13)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyPHXCLBMFULDDET-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

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Related Compounds

2-[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]acetic acid
CID 106703051
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972228
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329
[1-(3-bromo-4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972110
[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 116527858
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 103828949) is [1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1.
What is the InChIKey of [1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is PHXCLBMFULDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-10-2-1-9(5-11(10)13)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-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(4-bromo-3-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-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 103828949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).