2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid

C20H15Cl2NO6S — CID 146545909

IUPAC2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H15Cl2NO6S/c21-14-9-15(22)20(26)18(10-14)30(27,28)23-16-8-13(12-4-2-1-3-5-12)6-7-17(16)29-11-19(24)25/h1-10,23,26H,11H2,(H,24,25)
InChIKeyZQFYRUSVZNJFCQ-UHFFFAOYSA-N
MW468.31 g/mol
LogP4.63
Rot. Bonds7

About 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid

2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid (PubChem CID 146545909) has the molecular formula C20H15Cl2NO6S and a molecular weight of 468.31 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
PubChem CID146545909
Molecular FormulaC20H15Cl2NO6S
Molecular Weight468.31 g/mol
Exact Mass467.00
IUPAC Name2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H15Cl2NO6S/c21-14-9-15(22)20(26)18(10-14)30(27,28)23-16-8-13(12-4-2-1-3-5-12)6-7-17(16)29-11-19(24)25/h1-10,23,26H,11H2,(H,24,25)
InChIKeyZQFYRUSVZNJFCQ-UHFFFAOYSA-N
XLogP4.63
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.31
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

Analyze 2-[2-[(3,5-dichloro-2-hydroxyphenyl)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

Related Compounds

3,5-dichloro-2-hydroxy-N-(4-methoxy-[1,1'-biphenyl]-3-yl)benzenesulfonamide
CID 16747776
3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide
CID 146545851
3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 146545914
3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide
CID 146545932
3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 155568772
2-[2,4-Dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetic acid
CID 146545827
2-[2-[[3-Chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetic acid
CID 146545915
2-[2,4-Dichloro-6-[(2-fluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetamide
CID 146545931
Methyl 2-[2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetate
CID 146545947
Tert-butyl 2-[2-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-4-phenylphenoxy]acetate
CID 146545962
2-[2-[(3-Chloro-5-fluorophenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
CID 146545974
Methyl 2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetate
CID 146600968

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
The IUPAC name of 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid (CID 146545909) is 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid is O=C(O)COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
The InChIKey is ZQFYRUSVZNJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO6S/c21-14-9-15(22)20(26)18(10-14)30(27,28)23-16-8-13(12-4-2-1-3-5-12)6-7-17(16)29-11-19(24)25/h1-10,23,26H,11H2,(H,24,25).
What are the key properties of 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid?
2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid has a molecular weight of 468.31 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid is sourced from PubChem (CID 146545909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).