[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine

C11H14BrFN2O2S — CID 124701057

IUPAC[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O2S/c12-10-4-3-8(13)6-11(10)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2/t9-/m0/s1
InChIKeyNZJLDWIVHJQARL-VIFPVBQESA-N
MW337.21 g/mol
LogP1.70
Rot. Bonds3

About [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine

[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 124701057) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID124701057
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O2S/c12-10-4-3-8(13)6-11(10)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2/t9-/m0/s1
InChIKeyNZJLDWIVHJQARL-VIFPVBQESA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711687
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969412
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 124701057) is [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine is NC[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Br.
What is the InChIKey of [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is NZJLDWIVHJQARL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-10-4-3-8(13)6-11(10)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2/t9-/m0/s1.
What are the key properties of [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 337.21 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 [(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 124701057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).