4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide

C19H17N3O3S — CID 992049

IUPAC4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C19H17N3O3S/c1-14-2-8-18(9-3-14)26(24,25)22-17-6-4-15(5-7-17)19(23)21-16-10-12-20-13-11-16/h2-13,22H,1H3,(H,20,21,23)
InChIKeyCSSDFWZLKBVPJG-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.44
Rot. Bonds5

About 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide

4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (PubChem CID 992049) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
PubChem CID992049
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C19H17N3O3S/c1-14-2-8-18(9-3-14)26(24,25)22-17-6-4-15(5-7-17)19(23)21-16-10-12-20-13-11-16/h2-13,22H,1H3,(H,20,21,23)
InChIKeyCSSDFWZLKBVPJG-UHFFFAOYSA-N
XLogP3.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide 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 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (CID 992049) is 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The InChIKey is CSSDFWZLKBVPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-14-2-8-18(9-3-14)26(24,25)22-17-6-4-15(5-7-17)19(23)21-16-10-12-20-13-11-16/h2-13,22H,1H3,(H,20,21,23).
What are the key properties of 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 992049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).