2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid

C20H15FO4S — CID 71602248

IUPAC2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FO4S/c21-17-9-5-14(6-10-17)15-7-11-18(12-8-15)26(24,25)19-4-2-1-3-16(19)13-20(22)23/h1-12H,13H2,(H,22,23)
InChIKeyXXBXRJDBCMCGGD-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.95
Rot. Bonds5

About 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid

2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid (PubChem CID 71602248) has the molecular formula C20H15FO4S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid
PubChem CID71602248
Molecular FormulaC20H15FO4S
Molecular Weight370.40 g/mol
Exact Mass370.07
IUPAC Name2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FO4S/c21-17-9-5-14(6-10-17)15-7-11-18(12-8-15)26(24,25)19-4-2-1-3-16(19)13-20(22)23/h1-12H,13H2,(H,22,23)
InChIKeyXXBXRJDBCMCGGD-UHFFFAOYSA-N
XLogP3.95
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid (CID 71602248) is 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid is O=C(O)Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid?
The InChIKey is XXBXRJDBCMCGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO4S/c21-17-9-5-14(6-10-17)15-7-11-18(12-8-15)26(24,25)19-4-2-1-3-16(19)13-20(22)23/h1-12H,13H2,(H,22,23).
What are the key properties of 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid?
2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid has a molecular weight of 370.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid is sourced from PubChem (CID 71602248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).