2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid

C21H15ClF3NO6S — CID 146545915

IUPAC2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C21H15ClF3NO6S/c22-15-9-14(21(23,24)25)10-18(20(15)29)33(30,31)26-16-8-13(12-4-2-1-3-5-12)6-7-17(16)32-11-19(27)28/h1-10,26,29H,11H2,(H,27,28)
InChIKeyPJCOGABQLSSAQH-UHFFFAOYSA-N
MW501.87 g/mol
LogP5.00
Rot. Bonds7

About 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid

2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid (PubChem CID 146545915) has the molecular formula C21H15ClF3NO6S and a molecular weight of 501.87 g/mol. Its IUPAC name is 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid
PubChem CID146545915
Molecular FormulaC21H15ClF3NO6S
Molecular Weight501.87 g/mol
Exact Mass501.03
IUPAC Name2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C21H15ClF3NO6S/c22-15-9-14(21(23,24)25)10-18(20(15)29)33(30,31)26-16-8-13(12-4-2-1-3-5-12)6-7-17(16)32-11-19(27)28/h1-10,26,29H,11H2,(H,27,28)
InChIKeyPJCOGABQLSSAQH-UHFFFAOYSA-N
XLogP5.00
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.87
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic 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 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid?
The IUPAC name of 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid (CID 146545915) is 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid is O=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid?
The InChIKey is PJCOGABQLSSAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO6S/c22-15-9-14(21(23,24)25)10-18(20(15)29)33(30,31)26-16-8-13(12-4-2-1-3-5-12)6-7-17(16)32-11-19(27)28/h1-10,26,29H,11H2,(H,27,28).
What are the key properties of 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid?
2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid has a molecular weight of 501.87 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid is sourced from PubChem (CID 146545915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).