3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid

C10H11BrN2O4S — CID 90313310

IUPAC3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(S(=O)(=O)c2ncccc2Br)C1
InChIInChI=1S/C10H11BrN2O4S/c11-8-2-1-4-12-9(8)18(16,17)7-3-5-13(6-7)10(14)15/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyUPVSJIZSCLCUBW-UHFFFAOYSA-N
MW335.18 g/mol
LogP1.37
Rot. Bonds2

About 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid

3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid (PubChem CID 90313310) has the molecular formula C10H11BrN2O4S and a molecular weight of 335.18 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid
PubChem CID90313310
Molecular FormulaC10H11BrN2O4S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC Name3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(S(=O)(=O)c2ncccc2Br)C1
InChIInChI=1S/C10H11BrN2O4S/c11-8-2-1-4-12-9(8)18(16,17)7-3-5-13(6-7)10(14)15/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyUPVSJIZSCLCUBW-UHFFFAOYSA-N
XLogP1.37
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid (CID 90313310) is 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(S(=O)(=O)c2ncccc2Br)C1.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid?
The InChIKey is UPVSJIZSCLCUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4S/c11-8-2-1-4-12-9(8)18(16,17)7-3-5-13(6-7)10(14)15/h1-2,4,7H,3,5-6H2,(H,14,15).
What are the key properties of 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid?
3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid has a molecular weight of 335.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)sulfonyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90313310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).