2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid

C20H15ClFNO5S — CID 146545974

IUPAC2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C20H15ClFNO5S/c21-15-9-16(22)11-17(10-15)29(26,27)23-18-8-14(13-4-2-1-3-5-13)6-7-19(18)28-12-20(24)25/h1-11,23H,12H2,(H,24,25)
InChIKeyATCZOUBNFPNTRM-UHFFFAOYSA-N
MW435.86 g/mol
LogP4.41
Rot. Bonds7

About 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid

2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid (PubChem CID 146545974) has the molecular formula C20H15ClFNO5S and a molecular weight of 435.86 g/mol. Its IUPAC name is 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
PubChem CID146545974
Molecular FormulaC20H15ClFNO5S
Molecular Weight435.86 g/mol
Exact Mass435.03
IUPAC Name2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C20H15ClFNO5S/c21-15-9-16(22)11-17(10-15)29(26,27)23-18-8-14(13-4-2-1-3-5-13)6-7-19(18)28-12-20(24)25/h1-11,23H,12H2,(H,24,25)
InChIKeyATCZOUBNFPNTRM-UHFFFAOYSA-N
XLogP4.41
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3-chloro-5-fluorophenyl)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-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid (CID 146545974) is 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid is O=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
The InChIKey is ATCZOUBNFPNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO5S/c21-15-9-16(22)11-17(10-15)29(26,27)23-18-8-14(13-4-2-1-3-5-13)6-7-19(18)28-12-20(24)25/h1-11,23H,12H2,(H,24,25).
What are the key properties of 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid has a molecular weight of 435.86 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid is sourced from PubChem (CID 146545974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).