5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid

C19H22N2O7S — CID 4741945

IUPAC5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(O)c(C(=O)O)c3)CC2)c1
InChIInChI=1S/C19H22N2O7S/c1-27-14-4-6-17(28-2)18(12-14)29(25,26)21-9-7-20(8-10-21)13-3-5-16(22)15(11-13)19(23)24/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyBQOZFVFJIIQTNS-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.62
Rot. Bonds6

About 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid

5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid (PubChem CID 4741945) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid
PubChem CID4741945
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Name5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(O)c(C(=O)O)c3)CC2)c1
InChIInChI=1S/C19H22N2O7S/c1-27-14-4-6-17(28-2)18(12-14)29(25,26)21-9-7-20(8-10-21)13-3-5-16(22)15(11-13)19(23)24/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyBQOZFVFJIIQTNS-UHFFFAOYSA-N
XLogP1.62
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-5-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 4742000
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
CID 58845026
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CID 46325306
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid (CID 4741945) is 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(O)c(C(=O)O)c3)CC2)c1.
What is the InChIKey of 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid?
The InChIKey is BQOZFVFJIIQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-27-14-4-6-17(28-2)18(12-14)29(25,26)21-9-7-20(8-10-21)13-3-5-16(22)15(11-13)19(23)24/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid?
5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid has a molecular weight of 422.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 4741945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).