5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid

C15H15NO4S — CID 67522368

IUPAC5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid
SMILESCCCc1c(C(=O)O)cncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-2-6-12-13(15(17)18)9-16-10-14(12)21(19,20)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,17,18)
InChIKeyDRRIPHMOOHOJSV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.57
Rot. Bonds5

About 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid

5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid (PubChem CID 67522368) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid
PubChem CID67522368
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid
SMILESCCCc1c(C(=O)O)cncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-2-6-12-13(15(17)18)9-16-10-14(12)21(19,20)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,17,18)
InChIKeyDRRIPHMOOHOJSV-UHFFFAOYSA-N
XLogP2.57
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid?
The IUPAC name of 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid (CID 67522368) is 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid?
The canonical SMILES for 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid is CCCc1c(C(=O)O)cncc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid?
The InChIKey is DRRIPHMOOHOJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-6-12-13(15(17)18)9-16-10-14(12)21(19,20)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,17,18).
What are the key properties of 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid?
5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 67522368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).