2-(3-phenylphenyl)sulfonylacetic acid

C14H12O4S — CID 515137

IUPAC2-(3-phenylphenyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H12O4S/c15-14(16)10-19(17,18)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)
InChIKeyDLTCNMBRAOBEEO-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.21
Rot. Bonds4

About 2-(3-phenylphenyl)sulfonylacetic acid

2-(3-phenylphenyl)sulfonylacetic acid (PubChem CID 515137) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(3-phenylphenyl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(3-phenylphenyl)sulfonylacetic acid
PubChem CID515137
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name2-(3-phenylphenyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H12O4S/c15-14(16)10-19(17,18)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)
InChIKeyDLTCNMBRAOBEEO-UHFFFAOYSA-N
XLogP2.21
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)sulfonylacetic acid?
The IUPAC name of 2-(3-phenylphenyl)sulfonylacetic acid (CID 515137) is 2-(3-phenylphenyl)sulfonylacetic acid.
What is the SMILES notation for 2-(3-phenylphenyl)sulfonylacetic acid?
The canonical SMILES for 2-(3-phenylphenyl)sulfonylacetic acid is O=C(O)CS(=O)(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(3-phenylphenyl)sulfonylacetic acid?
The InChIKey is DLTCNMBRAOBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c15-14(16)10-19(17,18)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16).
What are the key properties of 2-(3-phenylphenyl)sulfonylacetic acid?
2-(3-phenylphenyl)sulfonylacetic acid has a molecular weight of 276.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)sulfonylacetic acid is sourced from PubChem (CID 515137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).