1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H12BrNO4S — CID 2765073

IUPAC1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)
InChIKeyORZCOQODYMJAIP-UHFFFAOYSA-N
MW334.19 g/mol
LogP1.69
Rot. Bonds3

About 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 2765073) has the molecular formula C11H12BrNO4S and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID2765073
Molecular FormulaC11H12BrNO4S
Molecular Weight334.19 g/mol
Exact Mass332.97
IUPAC Name1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)
InChIKeyORZCOQODYMJAIP-UHFFFAOYSA-N
XLogP1.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78923122

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 2765073) is 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is ORZCOQODYMJAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15).
What are the key properties of 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 334.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2765073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).