(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one

C11H12O5S — CID 101269410

IUPAC(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one
SMILESO=C1C[C@@H](O)[C@@H](O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O5S/c12-8-6-9(13)11(10(8)14)17(15,16)7-4-2-1-3-5-7/h1-5,8,10-12,14H,6H2/t8-,10-,11-/m1/s1
InChIKeyGSDCVJNJGLWAJO-FBIMIBRVSA-N
MW256.28 g/mol
LogP-0.48
Rot. Bonds2

About (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one

(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one (PubChem CID 101269410) has the molecular formula C11H12O5S and a molecular weight of 256.28 g/mol. Its IUPAC name is (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one.

Molecular Properties

Compound Name(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one
PubChem CID101269410
Molecular FormulaC11H12O5S
Molecular Weight256.28 g/mol
Exact Mass256.04
IUPAC Name(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one
SMILESO=C1C[C@@H](O)[C@@H](O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O5S/c12-8-6-9(13)11(10(8)14)17(15,16)7-4-2-1-3-5-7/h1-5,8,10-12,14H,6H2/t8-,10-,11-/m1/s1
InChIKeyGSDCVJNJGLWAJO-FBIMIBRVSA-N
XLogP-0.48
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one 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

2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
CID 73191675
(4R)-4-(benzenesulfonyl)azetidin-2-one
CID 51374299
trans-(2R,3S)-2-(benzenesulfonyl)-3-ethylcyclopentan-1-one
CID 11128783
(1S,6S)-6-(benzenesulfonyl)-5-methylidenecyclohex-2-en-1-ol
CID 131863859
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
(2R)-5-(benzenesulfonyl)-2-methylcyclohexan-1-one
CID 167093009
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
(1R,4S,5S)-5-(benzenesulfonyl)-6-methylidenebicyclo[2.2.1]hept-2-ene
CID 100975034
3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione
CID 14610963
(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
CID 10911682
methyl (4aS,5R,8aR)-8-(benzenesulfonyl)-5-methyl-4,7-dioxo-2,3,5,6,8,8a-hexahydro-1H-naphthalene-4a-carboxylate
CID 14764369
trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
CID 99999364

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one?
The IUPAC name of (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one (CID 101269410) is (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one.
What is the SMILES notation for (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one?
The canonical SMILES for (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one is O=C1C[C@@H](O)[C@@H](O)[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one?
The InChIKey is GSDCVJNJGLWAJO-FBIMIBRVSA-N. The full InChI is InChI=1S/C11H12O5S/c12-8-6-9(13)11(10(8)14)17(15,16)7-4-2-1-3-5-7/h1-5,8,10-12,14H,6H2/t8-,10-,11-/m1/s1.
What are the key properties of (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one?
(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one has a molecular weight of 256.28 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one is sourced from PubChem (CID 101269410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).