4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid

C19H22N2O6S — CID 2456144

IUPAC4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2OC)CC1
InChIInChI=1S/C19H22N2O6S/c1-26-16-6-4-3-5-15(16)20-9-11-21(12-10-20)28(24,25)18-13-14(19(22)23)7-8-17(18)27-2/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyGNXCFKLWUMTBOY-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.91
Rot. Bonds6

About 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid

4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid (PubChem CID 2456144) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
PubChem CID2456144
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2OC)CC1
InChIInChI=1S/C19H22N2O6S/c1-26-16-6-4-3-5-15(16)20-9-11-21(12-10-20)28(24,25)18-13-14(19(22)23)7-8-17(18)27-2/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyGNXCFKLWUMTBOY-UHFFFAOYSA-N
XLogP1.91
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic 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-(4-benzhydrylpiperazin-1-yl)sulfonyl-4-methoxybenzoic acid
CID 3982835
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2335095
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113080892
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2207423
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
The IUPAC name of 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid (CID 2456144) is 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid.
What is the SMILES notation for 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
The canonical SMILES for 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid is COc1ccccc1N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2OC)CC1.
What is the InChIKey of 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
The InChIKey is GNXCFKLWUMTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-26-16-6-4-3-5-15(16)20-9-11-21(12-10-20)28(24,25)18-13-14(19(22)23)7-8-17(18)27-2/h3-8,13H,9-12H2,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid has a molecular weight of 406.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid is sourced from PubChem (CID 2456144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).