(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol

C11H14FNO4S — CID 79410588

IUPAC(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCc1ccc(F)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H14FNO4S/c1-7-2-3-8(12)4-11(7)18(16,17)13-5-9(14)10(15)6-13/h2-4,9-10,14-15H,5-6H2,1H3/t9-,10+
InChIKeyUSOSIJQJWLJHEE-AOOOYVTPSA-N
MW275.30 g/mol
LogP-0.14
Rot. Bonds2

About (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol

(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 79410588) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID79410588
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
SMILESCc1ccc(F)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H14FNO4S/c1-7-2-3-8(12)4-11(7)18(16,17)13-5-9(14)10(15)6-13/h2-4,9-10,14-15H,5-6H2,1H3/t9-,10+
InChIKeyUSOSIJQJWLJHEE-AOOOYVTPSA-N
XLogP-0.14
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 131921248
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 131919037
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
3-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzonitrile
CID 106669480
[(3R,4R)-1-(5-fluoro-2-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120766020
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol
CID 78924731

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol (CID 79410588) is (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol is Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is USOSIJQJWLJHEE-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-7-2-3-8(12)4-11(7)18(16,17)13-5-9(14)10(15)6-13/h2-4,9-10,14-15H,5-6H2,1H3/t9-,10+.
What are the key properties of (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol?
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 275.30 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 79410588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).