5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

C24H19ClN4O3S — CID 162661775

IUPAC5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C24H19ClN4O3S/c1-26-24(30)20-10-18(13-27-14-20)19-12-22(23(25)28-15-19)29-33(31,32)21-9-5-8-17(11-21)16-6-3-2-4-7-16/h2-15,29H,1H3,(H,26,30)
InChIKeySFEQTARFFPWWEF-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.62
Rot. Bonds6

About 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162661775) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162661775
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC Name5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C24H19ClN4O3S/c1-26-24(30)20-10-18(13-27-14-20)19-12-22(23(25)28-15-19)29-33(31,32)21-9-5-8-17(11-21)16-6-3-2-4-7-16/h2-15,29H,1H3,(H,26,30)
InChIKeySFEQTARFFPWWEF-UHFFFAOYSA-N
XLogP4.62
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide 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-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162661775) is 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3cccc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is SFEQTARFFPWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c1-26-24(30)20-10-18(13-27-14-20)19-12-22(23(25)28-15-19)29-33(31,32)21-9-5-8-17(11-21)16-6-3-2-4-7-16/h2-15,29H,1H3,(H,26,30).
What are the key properties of 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 478.96 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162661775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).