1,2-bis(benzenesulfonyl)ethane-1,2-diol

C14H14O6S2 — CID 158874761

IUPAC1,2-bis(benzenesulfonyl)ethane-1,2-diol
SMILESO=S(=O)(c1ccccc1)C(O)C(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O6S2/c15-13(21(17,18)11-7-3-1-4-8-11)14(16)22(19,20)12-9-5-2-6-10-12/h1-10,13-16H
InChIKeyJCHICCBYABXFJP-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.57
Rot. Bonds5

About 1,2-bis(benzenesulfonyl)ethane-1,2-diol

1,2-bis(benzenesulfonyl)ethane-1,2-diol (PubChem CID 158874761) has the molecular formula C14H14O6S2 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1,2-bis(benzenesulfonyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(benzenesulfonyl)ethane-1,2-diol
PubChem CID158874761
Molecular FormulaC14H14O6S2
Molecular Weight342.39 g/mol
Exact Mass342.02
IUPAC Name1,2-bis(benzenesulfonyl)ethane-1,2-diol
SMILESO=S(=O)(c1ccccc1)C(O)C(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O6S2/c15-13(21(17,18)11-7-3-1-4-8-11)14(16)22(19,20)12-9-5-2-6-10-12/h1-10,13-16H
InChIKeyJCHICCBYABXFJP-UHFFFAOYSA-N
XLogP0.57
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 174895803
bis(benzenesulfonyl)methanesulfinic acid
CID 142336859
2-amino-1-(benzenesulfonyl)ethanol
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1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
[chloro(methylsulfinyl)methyl]sulfonylbenzene
CID 89140865
1-bromoethylsulfonylbenzene
CID 13411545
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335
2-(benzenesulfonyl)-2-sulfamoylacetic acid
CID 154414144
benzenesulfonic acid
CID 87196622

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(benzenesulfonyl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(benzenesulfonyl)ethane-1,2-diol (CID 158874761) is 1,2-bis(benzenesulfonyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(benzenesulfonyl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(benzenesulfonyl)ethane-1,2-diol is O=S(=O)(c1ccccc1)C(O)C(O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,2-bis(benzenesulfonyl)ethane-1,2-diol?
The InChIKey is JCHICCBYABXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6S2/c15-13(21(17,18)11-7-3-1-4-8-11)14(16)22(19,20)12-9-5-2-6-10-12/h1-10,13-16H.
What are the key properties of 1,2-bis(benzenesulfonyl)ethane-1,2-diol?
1,2-bis(benzenesulfonyl)ethane-1,2-diol has a molecular weight of 342.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(benzenesulfonyl)ethane-1,2-diol is sourced from PubChem (CID 158874761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).