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

C10H11ClFNO4S — CID 79411226

IUPAC(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11ClFNO4S/c11-7-3-6(1-2-8(7)12)18(16,17)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5H2/t9-,10+
InChIKeyJGWOYJPXMUXZGK-AOOOYVTPSA-N
MW295.72 g/mol
LogP0.21
Rot. Bonds2

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

(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 79411226) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID79411226
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11ClFNO4S/c11-7-3-6(1-2-8(7)12)18(16,17)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5H2/t9-,10+
InChIKeyJGWOYJPXMUXZGK-AOOOYVTPSA-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

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Related Compounds

4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
1-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411225
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3872116
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 9349006

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol (CID 79411226) is (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol is O=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is JGWOYJPXMUXZGK-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c11-7-3-6(1-2-8(7)12)18(16,17)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5H2/t9-,10+.
What are the key properties of (3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol?
(3S,4R)-1-(3-chloro-4-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-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 79411226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).