4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol

C11H12O4S — CID 4029682

IUPAC4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol
SMILESO=S(=O)(C1=CC(O)CC1O)c1ccccc1
InChIInChI=1S/C11H12O4S/c12-8-6-10(13)11(7-8)16(14,15)9-4-2-1-3-5-9/h1-5,7-8,10,12-13H,6H2
InChIKeyYXBOEPXHXCGIQZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.47
Rot. Bonds2

About 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol

4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol (PubChem CID 4029682) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol
PubChem CID4029682
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol
SMILESO=S(=O)(C1=CC(O)CC1O)c1ccccc1
InChIInChI=1S/C11H12O4S/c12-8-6-10(13)11(7-8)16(14,15)9-4-2-1-3-5-9/h1-5,7-8,10,12-13H,6H2
InChIKeyYXBOEPXHXCGIQZ-UHFFFAOYSA-N
XLogP0.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Phenylsulfonyl)ethanol
CID 30202
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
1-(Benzenesulfonyl)propan-2-ol
CID 547258
3-(Benzenesulfonyl)cyclobutan-1-ol
CID 12442438
Thiophene-3-ol, tetrahydro-4-(phenylsulfonyl)-, 1,1-dioxide
CID 2829780
3-Phenylsulfonyl-4,4-ethylenedioxycyclopent-2-en-1-ol
CID 12085021
(2S)-2-(benzenesulfonyl)butan-1-ol
CID 155934407
4-(Benzenesulfonyl)butan-2-ol
CID 10943848
1-Propanol, 3-(phenylsulfonyl)-
CID 11106367
(r)-(-)-4-(Phenylsulfonyl)-2-butanol
CID 11138464
2-(Benzenesulfonyl)heptan-3-ol
CID 12776914

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol?
The IUPAC name of 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol (CID 4029682) is 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol.
What is the SMILES notation for 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol?
The canonical SMILES for 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol is O=S(=O)(C1=CC(O)CC1O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol?
The InChIKey is YXBOEPXHXCGIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4S/c12-8-6-10(13)11(7-8)16(14,15)9-4-2-1-3-5-9/h1-5,7-8,10,12-13H,6H2.
What are the key properties of 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol?
4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol has a molecular weight of 240.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)cyclopent-4-ene-1,3-diol is sourced from PubChem (CID 4029682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).