5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide

C20H22N8O2S — CID 10296889

IUPAC5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide
SMILESCc1ccc(Nc2ncnc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C20H22N8O2S/c1-12-5-6-14(9-18(12)31(21,29)30)24-19-22-11-23-20(25-19)27(3)15-7-8-16-13(2)28(4)26-17(16)10-15/h5-11H,1-4H3,(H2,21,29,30)(H,22,23,24,25)
InChIKeyIDXNGTHGCYPLSM-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.53
Rot. Bonds5

About 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide

5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide (PubChem CID 10296889) has the molecular formula C20H22N8O2S and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide
PubChem CID10296889
Molecular FormulaC20H22N8O2S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC Name5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide
SMILESCc1ccc(Nc2ncnc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C20H22N8O2S/c1-12-5-6-14(9-18(12)31(21,29)30)24-19-22-11-23-20(25-19)27(3)15-7-8-16-13(2)28(4)26-17(16)10-15/h5-11H,1-4H3,(H2,21,29,30)(H,22,23,24,25)
InChIKeyIDXNGTHGCYPLSM-UHFFFAOYSA-N
XLogP2.53
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide with MolForge

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Related Compounds

5-[[4-[(3-ethenyl-2-methylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 123807787
5-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]-[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 67228449
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 129143644
5-[[4-[(2,3-dimethylindazol-5-yl)-methylamino]pyrimidin-2-yl]-methylamino]-2-methylbenzenesulfonamide
CID 156545339
2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10202534
N-[4-[bis[5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylphenyl]methyl]phenyl]-1-[5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylphenyl]methanesulfonamide
CID 155675364
ethyl (2S)-2-[[(N-[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]-4-methyl-3-sulfamoylanilino)-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324763
2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535781
1-(2,3-dimethylindazol-6-yl)-1-(4-sulfamoylphenyl)urea
CID 174717823
2-[4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenyl]sulfonylguanidine
CID 74982365
1-[4-[methyl-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-(4-methylphenyl)urea
CID 134296115
3-[[4-[[2,3-bis(ethenyl)indazol-6-yl]-ethenylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 163704026

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide (CID 10296889) is 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide is Cc1ccc(Nc2ncnc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide?
The InChIKey is IDXNGTHGCYPLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2S/c1-12-5-6-14(9-18(12)31(21,29)30)24-19-22-11-23-20(25-19)27(3)15-7-8-16-13(2)28(4)26-17(16)10-15/h5-11H,1-4H3,(H2,21,29,30)(H,22,23,24,25).
What are the key properties of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide?
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide has a molecular weight of 438.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10296889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).