N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide

C24H22N8O2S — CID 46893353

IUPACN-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc4ccccc4n3-c3nc(C)nc(N)n3)cc2)cc1
InChIInChI=1S/C24H22N8O2S/c1-15-7-13-19(14-8-15)35(33,34)31-18-11-9-17(10-12-18)28-24-29-20-5-3-4-6-21(20)32(24)23-27-16(2)26-22(25)30-23/h3-14,31H,1-2H3,(H,28,29)(H2,25,26,27,30)
InChIKeyFHHFLDRMBYRLFD-UHFFFAOYSA-N
MW486.56 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide

N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide (PubChem CID 46893353) has the molecular formula C24H22N8O2S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide
PubChem CID46893353
Molecular FormulaC24H22N8O2S
Molecular Weight486.56 g/mol
Exact Mass486.16
IUPAC NameN-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc4ccccc4n3-c3nc(C)nc(N)n3)cc2)cc1
InChIInChI=1S/C24H22N8O2S/c1-15-7-13-19(14-8-15)35(33,34)31-18-11-9-17(10-12-18)28-24-29-20-5-3-4-6-21(20)32(24)23-27-16(2)26-22(25)30-23/h3-14,31H,1-2H3,(H,28,29)(H2,25,26,27,30)
InChIKeyFHHFLDRMBYRLFD-UHFFFAOYSA-N
XLogP3.95
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-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

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-4-yl)benzimidazol-2-amine
CID 67979800
3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzonitrile
CID 46892463
N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 46892598
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
3,4-dimethyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297613
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-nitrobenzenesulfonamide
CID 122297886
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-methyl-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122316681

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide (CID 46893353) is N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc4ccccc4n3-c3nc(C)nc(N)n3)cc2)cc1.
What is the InChIKey of N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is FHHFLDRMBYRLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2S/c1-15-7-13-19(14-8-15)35(33,34)31-18-11-9-17(10-12-18)28-24-29-20-5-3-4-6-21(20)32(24)23-27-16(2)26-22(25)30-23/h3-14,31H,1-2H3,(H,28,29)(H2,25,26,27,30).
What are the key properties of N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide?
N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 486.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46893353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).