5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid

C22H20N2O6S — CID 72724946

IUPAC5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCC(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c2)cc1
InChIInChI=1S/C22H20N2O6S/c1-14-3-10-19(11-4-14)31(28,29)24-21-12-9-18(13-20(21)22(26)27)30-17-7-5-16(6-8-17)23-15(2)25/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyHINYJTDWHWUOSL-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.24
Rot. Bonds7

About 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid

5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 72724946) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid
PubChem CID72724946
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCC(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c2)cc1
InChIInChI=1S/C22H20N2O6S/c1-14-3-10-19(11-4-14)31(28,29)24-21-12-9-18(13-20(21)22(26)27)30-17-7-5-16(6-8-17)23-15(2)25/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyHINYJTDWHWUOSL-UHFFFAOYSA-N
XLogP4.24
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Phenoxybenzoylamino)benzoic acid deriv., 24i
CID 11202589
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
5-(4-Carboxyphenoxy)-2-{[(4-Methylphenyl)sulfonyl]amino}benzoic Acid
CID 71819717
[2-[[4-[(4-Sulfamoylphenyl)methylselanyl]phenyl]carbamoyl]phenyl] acetate
CID 145956803
5-(Acetyloxy)-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 889613
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
2-[3-(4-Methoxy-phenylsulfamoyl)-4-methyl-benzoylamino]-benzoic acid
CID 1356290
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
5-Methoxy-N-((S)-1-phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328298
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
2-[3-(4-Methoxy-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1076709
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-benzoic acid
CID 1118219

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid (CID 72724946) is 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid is CC(=O)Nc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is HINYJTDWHWUOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-14-3-10-19(11-4-14)31(28,29)24-21-12-9-18(13-20(21)22(26)27)30-17-7-5-16(6-8-17)23-15(2)25/h3-13,24H,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid?
5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid has a molecular weight of 440.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenoxy)-2-[(4-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 72724946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).