2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid

C19H22N2O6S — CID 2324705

IUPAC2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C(=O)O
InChIInChI=1S/C19H22N2O6S/c1-26-17-8-7-14(13-15(17)19(22)23)28(24,25)21-11-9-20(10-12-21)16-5-3-4-6-18(16)27-2/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyCLVAJKORECMLFW-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.91
Rot. Bonds6

About 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid

2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid (PubChem CID 2324705) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
PubChem CID2324705
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C(=O)O
InChIInChI=1S/C19H22N2O6S/c1-26-17-8-7-14(13-15(17)19(22)23)28(24,25)21-11-9-20(10-12-21)16-5-3-4-6-18(16)27-2/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyCLVAJKORECMLFW-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

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665354
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 27241577
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
(E)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoic acid
CID 67010298
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid
CID 737522
1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 10482055
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283512

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
The IUPAC name of 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid (CID 2324705) is 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid.
What is the SMILES notation for 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
The canonical SMILES for 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid is COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
The InChIKey is CLVAJKORECMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-26-17-8-7-14(13-15(17)19(22)23)28(24,25)21-11-9-20(10-12-21)16-5-3-4-6-18(16)27-2/h3-8,13H,9-12H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid?
2-methoxy-5-[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 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid is sourced from PubChem (CID 2324705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).