(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol

C10H11ClFNO4S — CID 79410117

IUPAC(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11ClFNO4S/c11-6-1-2-10(7(12)3-6)18(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2/t8-,9+
InChIKeyIGSYZKILTLHVLH-DTORHVGOSA-N
MW295.72 g/mol
LogP0.21
Rot. Bonds2

About (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol

(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 79410117) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID79410117
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11ClFNO4S/c11-6-1-2-10(7(12)3-6)18(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2/t8-,9+
InChIKeyIGSYZKILTLHVLH-DTORHVGOSA-N
XLogP0.21
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-(4-chloro-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

Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
(3aR,6aS)-2-(4-chloro-2-fluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
CID 166273188
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
(3aR,7aS)-2-(4-chloro-2-fluorophenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598576
N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
CID 79410911
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63844683
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63845886
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
3-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-4-fluorobenzoic acid
CID 106668302

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol (CID 79410117) is (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol is O=S(=O)(c1ccc(Cl)cc1F)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is IGSYZKILTLHVLH-DTORHVGOSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c11-6-1-2-10(7(12)3-6)18(16,17)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2/t8-,9+.
What are the key properties of (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 295.72 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 79410117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).