[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

C22H17Cl2NO7S — CID 2351467

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H17Cl2NO7S/c1-31-21-5-3-2-4-18(21)25-33(29,30)14-7-9-19(26)16(11-14)22(28)32-12-20(27)15-8-6-13(23)10-17(15)24/h2-11,25-26H,12H2,1H3
InChIKeyYATZHBUNHHTTJA-UHFFFAOYSA-N
MW510.35 g/mol
LogP4.55
Rot. Bonds8

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 2351467) has the molecular formula C22H17Cl2NO7S and a molecular weight of 510.35 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID2351467
Molecular FormulaC22H17Cl2NO7S
Molecular Weight510.35 g/mol
Exact Mass509.01
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H17Cl2NO7S/c1-31-21-5-3-2-4-18(21)25-33(29,30)14-7-9-19(26)16(11-14)22(28)32-12-20(27)15-8-6-13(23)10-17(15)24/h2-11,25-26H,12H2,1H3
InChIKeyYATZHBUNHHTTJA-UHFFFAOYSA-N
XLogP4.55
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.35
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate 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

5-[(5-Chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 4848510
2-[2-[(4-Chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798264
2-[2-[(4-Chlorophenyl)sulfonylamino]-4-fluorophenoxy]benzoic acid
CID 49798292
2-[4-Chloro-2-[(4-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798323
2-[2-[(4-Chlorophenyl)sulfonylamino]-5-methylphenoxy]benzoic acid
CID 49798326
2-[2-(Benzenesulfonamido)-4-chlorophenoxy]benzoic acid
CID 49798347
2-[4-Chloro-2-[(3-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798348
2-Chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 3637461
2,4-Dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 1322543
2-[2-[(4-Chlorophenyl)sulfonylamino]-6-methylphenoxy]benzoic acid
CID 49798324
(2-Fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2418877
Phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2463347

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 2351467) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is YATZHBUNHHTTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO7S/c1-31-21-5-3-2-4-18(21)25-33(29,30)14-7-9-19(26)16(11-14)22(28)32-12-20(27)15-8-6-13(23)10-17(15)24/h2-11,25-26H,12H2,1H3.
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 510.35 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2351467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).