3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid

C20H14F3NO5S — CID 171782850

IUPAC3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(-c2ccccc2)c1
InChIInChI=1S/C20H14F3NO5S/c21-20(22,23)29-17-6-8-18(9-7-17)30(27,28)24-16-11-14(10-15(12-16)19(25)26)13-4-2-1-3-5-13/h1-12,24H,(H,25,26)
InChIKeyCRDKJROGNFXAOS-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.75
Rot. Bonds6

About 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid

3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid (PubChem CID 171782850) has the molecular formula C20H14F3NO5S and a molecular weight of 437.40 g/mol. Its IUPAC name is 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
PubChem CID171782850
Molecular FormulaC20H14F3NO5S
Molecular Weight437.40 g/mol
Exact Mass437.05
IUPAC Name3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(-c2ccccc2)c1
InChIInChI=1S/C20H14F3NO5S/c21-20(22,23)29-17-6-8-18(9-7-17)30(27,28)24-16-11-14(10-15(12-16)19(25)26)13-4-2-1-3-5-13/h1-12,24H,(H,25,26)
InChIKeyCRDKJROGNFXAOS-UHFFFAOYSA-N
XLogP4.75
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid (CID 171782850) is 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
The InChIKey is CRDKJROGNFXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO5S/c21-20(22,23)29-17-6-8-18(9-7-17)30(27,28)24-16-11-14(10-15(12-16)19(25)26)13-4-2-1-3-5-13/h1-12,24H,(H,25,26).
What are the key properties of 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid has a molecular weight of 437.40 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 171782850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).