benzenesulfonylbenzene;oxalic acid

C14H12O6S — CID 67897674

IUPACbenzenesulfonylbenzene;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.C2H2O4/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1(4)2(5)6/h1-10H;(H,3,4)(H,5,6)
InChIKeyLRZJMUPGRPIBBS-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.67
Rot. Bonds2

About benzenesulfonylbenzene;oxalic acid

benzenesulfonylbenzene;oxalic acid (PubChem CID 67897674) has the molecular formula C14H12O6S and a molecular weight of 308.31 g/mol. Its IUPAC name is benzenesulfonylbenzene;oxalic acid.

Molecular Properties

Compound Namebenzenesulfonylbenzene;oxalic acid
PubChem CID67897674
Molecular FormulaC14H12O6S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Namebenzenesulfonylbenzene;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.C2H2O4/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1(4)2(5)6/h1-10H;(H,3,4)(H,5,6)
InChIKeyLRZJMUPGRPIBBS-UHFFFAOYSA-N
XLogP1.67
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
1,2-bis(benzenesulfonyl)benzene
CID 19980733
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
1-[4-(benzenesulfonyl)phenyl]-2,2-dichloroethanone
CID 3008749
aminothiourea;benzenesulfonylbenzene
CID 159260288
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553

Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene;oxalic acid?
The IUPAC name of benzenesulfonylbenzene;oxalic acid (CID 67897674) is benzenesulfonylbenzene;oxalic acid.
What is the SMILES notation for benzenesulfonylbenzene;oxalic acid?
The canonical SMILES for benzenesulfonylbenzene;oxalic acid is O=C(O)C(=O)O.O=S(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfonylbenzene;oxalic acid?
The InChIKey is LRZJMUPGRPIBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.C2H2O4/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;3-1(4)2(5)6/h1-10H;(H,3,4)(H,5,6).
What are the key properties of benzenesulfonylbenzene;oxalic acid?
benzenesulfonylbenzene;oxalic acid has a molecular weight of 308.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylbenzene;oxalic acid is sourced from PubChem (CID 67897674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).