(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol

C10H12BrFN2O4S — CID 107213202

IUPAC(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESNc1cc(Br)c(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C10H12BrFN2O4S/c11-6-1-5(13)2-9(10(6)12)19(17,18)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4,13H2/t7-,8+
InChIKeyCZQYXNQKFCQIAZ-OCAPTIKFSA-N
MW355.19 g/mol
LogP-0.10
Rot. Bonds2

About (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol

(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 107213202) has the molecular formula C10H12BrFN2O4S and a molecular weight of 355.19 g/mol. Its IUPAC name is (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID107213202
Molecular FormulaC10H12BrFN2O4S
Molecular Weight355.19 g/mol
Exact Mass353.97
IUPAC Name(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESNc1cc(Br)c(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C10H12BrFN2O4S/c11-6-1-5(13)2-9(10(6)12)19(17,18)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4,13H2/t7-,8+
InChIKeyCZQYXNQKFCQIAZ-OCAPTIKFSA-N
XLogP-0.10
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol 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 (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol (CID 107213202) is (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol is Nc1cc(Br)c(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c1.
What is the InChIKey of (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is CZQYXNQKFCQIAZ-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H12BrFN2O4S/c11-6-1-5(13)2-9(10(6)12)19(17,18)14-3-7(15)8(16)4-14/h1-2,7-8,15-16H,3-4,13H2/t7-,8+.
What are the key properties of (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 355.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 107213202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).