[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate

C21H24N2O6S — CID 4803722

IUPAC[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C21H24N2O6S/c1-15-8-9-18(30(27,28)23-10-3-2-4-11-23)13-19(15)22-20(25)14-29-21(26)16-6-5-7-17(24)12-16/h5-9,12-13,24H,2-4,10-11,14H2,1H3,(H,22,25)
InChIKeyZXSRTBWMMJICMH-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.67
Rot. Bonds6

About [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 4803722) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID4803722
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C21H24N2O6S/c1-15-8-9-18(30(27,28)23-10-3-2-4-11-23)13-19(15)22-20(25)14-29-21(26)16-6-5-7-17(24)12-16/h5-9,12-13,24H,2-4,10-11,14H2,1H3,(H,22,25)
InChIKeyZXSRTBWMMJICMH-UHFFFAOYSA-N
XLogP2.67
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
Ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
CID 4585809
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 5213203
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2535541
[2-(2,3-Dimethylanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557091
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate
CID 3473129
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 3503926
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate
CID 3513769
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate
CID 3590788
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4081477
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 4176023
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 4262839

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 4803722) is [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(O)c1.
What is the InChIKey of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is ZXSRTBWMMJICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-15-8-9-18(30(27,28)23-10-3-2-4-11-23)13-19(15)22-20(25)14-29-21(26)16-6-5-7-17(24)12-16/h5-9,12-13,24H,2-4,10-11,14H2,1H3,(H,22,25).
What are the key properties of [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 432.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 4803722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).