N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide

C19H16N4O2S — CID 132607259

IUPACN-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C19H16N4O2S/c1-14-2-8-18(9-3-14)26(24,25)23-17-10-11-21-19(12-17)22-16-6-4-15(13-20)5-7-16/h2-12H,1H3,(H2,21,22,23)
InChIKeyXRWAEKJEYVMSPD-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide

N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 132607259) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID132607259
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C19H16N4O2S/c1-14-2-8-18(9-3-14)26(24,25)23-17-10-11-21-19(12-17)22-16-6-4-15(13-20)5-7-16/h2-12H,1H3,(H2,21,22,23)
InChIKeyXRWAEKJEYVMSPD-UHFFFAOYSA-N
XLogP3.81
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Dubermatinib
CID 56839178
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
N-(Pyridin-2-yl) arylsulfonamide, 28
CID 12002968
N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
CID 67345149
US9676721, 32 2-cyano-1-({4-[(3,5-difluorobenzene)sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine
CID 56929542
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
N-(Pyridin-2-yl) arylsulfonamide, 27
CID 44143315
N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156015222
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
Benzyl(phenylsulfonyl)-2-pyridylamine
CID 668956
4-methyl-N-phenyl-N-2-pyridinylbenzenesulfonamide
CID 882825

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide (CID 132607259) is N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)c2)cc1.
What is the InChIKey of N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is XRWAEKJEYVMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-14-2-8-18(9-3-14)26(24,25)23-17-10-11-21-19(12-17)22-16-6-4-15(13-20)5-7-16/h2-12H,1H3,(H2,21,22,23).
What are the key properties of N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide?
N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanoanilino)-4-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 132607259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).