[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine

C11H14BrClN2O2S — CID 124702661

IUPAC[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNC[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClN2O2S/c12-8-3-4-10(13)11(6-8)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2/t9-/m1/s1
InChIKeyLDDGDEOBACTZQP-SECBINFHSA-N
MW353.67 g/mol
LogP2.21
Rot. Bonds3

About [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine

[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 124702661) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID124702661
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNC[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClN2O2S/c12-8-3-4-10(13)11(6-8)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2/t9-/m1/s1
InChIKeyLDDGDEOBACTZQP-SECBINFHSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.21
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
[1-(4-bromo-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988924
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
[(2S)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 124591893
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
1-(5-bromo-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 119959333

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 124702661) is [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine is NC[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is LDDGDEOBACTZQP-SECBINFHSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c12-8-3-4-10(13)11(6-8)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2/t9-/m1/s1.
What are the key properties of [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 353.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 124702661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).