[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H15BrN2O3S — CID 107212246

IUPAC[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H15BrN2O3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyDKRWCXFZONAGMR-SECBINFHSA-N
MW335.22 g/mol
LogP1.18
Rot. Bonds3

About [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 107212246) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID107212246
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H15BrN2O3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyDKRWCXFZONAGMR-SECBINFHSA-N
XLogP1.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 43577772
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
4-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonylaniline
CID 62886965
[(2R)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212249
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 107212246) is [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol is Nc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is DKRWCXFZONAGMR-SECBINFHSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7,13H2/t9-/m1/s1.
What are the key properties of [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 335.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 107212246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).