5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid

C20H23N3O6S — CID 53024647

IUPAC5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)CC1
InChIInChI=1S/C20H23N3O6S/c1-2-29-20(26)14-8-10-23(11-9-14)18-17(19(24)25)12-15(13-21-18)22-30(27,28)16-6-4-3-5-7-16/h3-7,12-14,22H,2,8-11H2,1H3,(H,24,25)
InChIKeyWHWSKOZVTMFMFK-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.36
Rot. Bonds7

About 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid

5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 53024647) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID53024647
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)CC1
InChIInChI=1S/C20H23N3O6S/c1-2-29-20(26)14-8-10-23(11-9-14)18-17(19(24)25)12-15(13-21-18)22-30(27,28)16-6-4-3-5-7-16/h3-7,12-14,22H,2,8-11H2,1H3,(H,24,25)
InChIKeyWHWSKOZVTMFMFK-UHFFFAOYSA-N
XLogP2.36
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 53024647) is 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid is CCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3ccccc3)cc2C(=O)O)CC1.
What is the InChIKey of 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is WHWSKOZVTMFMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-2-29-20(26)14-8-10-23(11-9-14)18-17(19(24)25)12-15(13-21-18)22-30(27,28)16-6-4-3-5-7-16/h3-7,12-14,22H,2,8-11H2,1H3,(H,24,25).
What are the key properties of 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 433.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53024647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).