5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid

C18H21N3O4S — CID 118727245

IUPAC5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C18H21N3O4S/c1-13-7-3-4-8-16(13)26(24,25)20-14-11-15(18(22)23)17(19-12-14)21-9-5-2-6-10-21/h3-4,7-8,11-12,20H,2,5-6,9-10H2,1H3,(H,22,23)
InChIKeyHUZSEHZORCSOAT-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.88
Rot. Bonds5

About 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid

5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid (PubChem CID 118727245) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid
PubChem CID118727245
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C18H21N3O4S/c1-13-7-3-4-8-16(13)26(24,25)20-14-11-15(18(22)23)17(19-12-14)21-9-5-2-6-10-21/h3-4,7-8,11-12,20H,2,5-6,9-10H2,1H3,(H,22,23)
InChIKeyHUZSEHZORCSOAT-UHFFFAOYSA-N
XLogP2.88
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid (CID 118727245) is 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid is Cc1ccccc1S(=O)(=O)Nc1cnc(N2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is HUZSEHZORCSOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-7-3-4-8-16(13)26(24,25)20-14-11-15(18(22)23)17(19-12-14)21-9-5-2-6-10-21/h3-4,7-8,11-12,20H,2,5-6,9-10H2,1H3,(H,22,23).
What are the key properties of 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid?
5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 118727245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).