N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide

C26H21N3O3S — CID 164946038

IUPACN-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4cccc(C)c4)c(C#N)c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C26H21N3O3S/c1-17-6-12-22(13-7-17)33(31,32)29-21-10-8-19(9-11-21)25-15-23(24(16-27)26(30)28-25)20-5-3-4-18(2)14-20/h3-15,29H,1-2H3,(H,28,30)
InChIKeyADTWOUOKNVENFS-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.00
Rot. Bonds5

About N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide

N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 164946038) has the molecular formula C26H21N3O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID164946038
Molecular FormulaC26H21N3O3S
Molecular Weight455.54 g/mol
Exact Mass455.13
IUPAC NameN-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4cccc(C)c4)c(C#N)c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C26H21N3O3S/c1-17-6-12-22(13-7-17)33(31,32)29-21-10-8-19(9-11-21)25-15-23(24(16-27)26(30)28-25)20-5-3-4-18(2)14-20/h3-15,29H,1-2H3,(H,28,30)
InChIKeyADTWOUOKNVENFS-UHFFFAOYSA-N
XLogP5.00
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657109
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656908
4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 3629581
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide (CID 164946038) is N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4cccc(C)c4)c(C#N)c(=O)[nH]3)cc2)cc1.
What is the InChIKey of N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ADTWOUOKNVENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S/c1-17-6-12-22(13-7-17)33(31,32)29-21-10-8-19(9-11-21)25-15-23(24(16-27)26(30)28-25)20-5-3-4-18(2)14-20/h3-15,29H,1-2H3,(H,28,30).
What are the key properties of N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 455.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyano-4-(3-methylphenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164946038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).