2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid

C22H19NO6S — CID 45486095

IUPAC2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid
SMILESCC(=O)c1ccc(Oc2cccc(CC(=O)O)c2)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19NO6S/c1-15(24)17-10-11-21(29-18-7-5-6-16(12-18)13-22(25)26)20(14-17)23-30(27,28)19-8-3-2-4-9-19/h2-12,14,23H,13H2,1H3,(H,25,26)
InChIKeySGGGHTSFSWEZKS-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.11
Rot. Bonds8

About 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid

2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid (PubChem CID 45486095) has the molecular formula C22H19NO6S and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid
PubChem CID45486095
Molecular FormulaC22H19NO6S
Molecular Weight425.46 g/mol
Exact Mass425.09
IUPAC Name2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid
SMILESCC(=O)c1ccc(Oc2cccc(CC(=O)O)c2)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19NO6S/c1-15(24)17-10-11-21(29-18-7-5-6-16(12-18)13-22(25)26)20(14-17)23-30(27,28)19-8-3-2-4-9-19/h2-12,14,23H,13H2,1H3,(H,25,26)
InChIKeySGGGHTSFSWEZKS-UHFFFAOYSA-N
XLogP4.11
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]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

2-{[(4-Methylphenyl)sulfonyl]amino}-4-Phenoxybenzoic Acid
CID 71300317
5-(4-Carboxyphenoxy)-2-{[(4-Methylphenyl)sulfonyl]amino}benzoic Acid
CID 71819717
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
2-(3-(4-Chloro-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486016
2-(3-(4-Carbamoyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486044
2-(3-(4-(Ethylcarbamoyl)-2-(4-methylphenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486052
2-[3-[2-(Benzenesulfonamido)phenoxy]phenyl]acetic acid
CID 59644626
3-Amino-4-phenoxy-5-sulfamoylbenzoic acid
CID 119927
3-{4-[(4-Methoxyanilino)sulfonyl]phenoxy}benzoic acid
CID 1249025
4-Methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 2444051
3-[4-[[2-(3-Methylphenoxy)phenyl]sulfamoyl]phenyl]propanoic acid
CID 9238203
2-(3-(4-(Ethylcarbamoyl)-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486094

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid (CID 45486095) is 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid is CC(=O)c1ccc(Oc2cccc(CC(=O)O)c2)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
The InChIKey is SGGGHTSFSWEZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6S/c1-15(24)17-10-11-21(29-18-7-5-6-16(12-18)13-22(25)26)20(14-17)23-30(27,28)19-8-3-2-4-9-19/h2-12,14,23H,13H2,1H3,(H,25,26).
What are the key properties of 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid?
2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid has a molecular weight of 425.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-acetyl-2-(benzenesulfonamido)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 45486095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).