5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

C24H19ClN4O3S — CID 162647933

IUPAC5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C24H19ClN4O3S/c1-26-24(30)20-11-18(13-27-14-20)19-12-22(23(25)28-15-19)29-33(31,32)21-9-7-17(8-10-21)16-5-3-2-4-6-16/h2-15,29H,1H3,(H,26,30)
InChIKeyAOYINAMDTZPCNI-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.62
Rot. Bonds6

About 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162647933) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162647933
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC Name5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C24H19ClN4O3S/c1-26-24(30)20-11-18(13-27-14-20)19-12-22(23(25)28-15-19)29-33(31,32)21-9-7-17(8-10-21)16-5-3-2-4-6-16/h2-15,29H,1H3,(H,26,30)
InChIKeyAOYINAMDTZPCNI-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'}

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Related Compounds

5-[6-chloro-5-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162645308
5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162645378
5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162649363
2-amino-N-[4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]phenyl]-3-methylbutanamide
CID 175276585
5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-tert-butylpyridine-3-carboxamide
CID 174952677
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
CID 25144376
tert-butyl N-[2-[[5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 121445780
N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 71556566
N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87554239
4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide
CID 26781170
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
CID 143915344

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162647933) is 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is AOYINAMDTZPCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c1-26-24(30)20-11-18(13-27-14-20)19-12-22(23(25)28-15-19)29-33(31,32)21-9-7-17(8-10-21)16-5-3-2-4-6-16/h2-15,29H,1H3,(H,26,30).
What are the key properties of 5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[(4-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-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162647933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).