N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

C17H18N6O2S — CID 53340101

IUPACN-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C17H18N6O2S/c1-12-5-3-6-13(9-12)21-16-19-11-20-17(23-16)22-14-7-4-8-15(10-14)26(24,25)18-2/h3-11,18H,1-2H3,(H2,19,20,21,22,23)
InChIKeyOAOOXDDVWWZKSJ-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 53340101) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID53340101
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2ncnc(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C17H18N6O2S/c1-12-5-3-6-13(9-12)21-16-19-11-20-17(23-16)22-14-7-4-8-15(10-14)26(24,25)18-2/h3-11,18H,1-2H3,(H2,19,20,21,22,23)
InChIKeyOAOOXDDVWWZKSJ-UHFFFAOYSA-N
XLogP2.58
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

3-[[4-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzenesulfonamide
CID 53257414
N-methyl-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 53328965
N-methyl-3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 53330383
N-methyl-3-[[6-(3-propan-2-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 67346310
3-[[6-(3-tert-butylanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 68304989
4-[[4-Chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 76332521
3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 137641776
N-methyl-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 137652336
4-((4-Amino-1,3,5-triazin-2-yl)amino)benzenesulfonamide
CID 227749
N-[2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 71813142
N-methyl-3-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 137640806
N-methyl-3-[[6-(2-methylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 137647799

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 53340101) is N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2ncnc(Nc3cccc(C)c3)n2)c1.
What is the InChIKey of N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is OAOOXDDVWWZKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-12-5-3-6-13(9-12)21-16-19-11-20-17(23-16)22-14-7-4-8-15(10-14)26(24,25)18-2/h3-11,18H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 370.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 53340101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).