N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C16H21N9O2S — CID 1047016

IUPACN-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2nc(N(C)C)nc(N(C)C)n2)n2cnnc2)cc1
InChIInChI=1S/C16H21N9O2S/c1-12-6-8-13(9-7-12)28(26,27)25(24-10-17-18-11-24)16-20-14(22(2)3)19-15(21-16)23(4)5/h6-11H,1-5H3
InChIKeyRZBYENQJAHUFNE-UHFFFAOYSA-N
MW403.47 g/mol
LogP0.56
Rot. Bonds6

About N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 1047016) has the molecular formula C16H21N9O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID1047016
Molecular FormulaC16H21N9O2S
Molecular Weight403.47 g/mol
Exact Mass403.15
IUPAC NameN-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2nc(N(C)C)nc(N(C)C)n2)n2cnnc2)cc1
InChIInChI=1S/C16H21N9O2S/c1-12-6-8-13(9-7-12)28(26,27)25(24-10-17-18-11-24)16-20-14(22(2)3)19-15(21-16)23(4)5/h6-11H,1-5H3
InChIKeyRZBYENQJAHUFNE-UHFFFAOYSA-N
XLogP0.56
TPSA113.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide 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

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3129015
1-((2,4,6-Trimethylphenyl)sulfonyl)-1H-1,2,4-triazole
CID 521491
N-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3130273
N-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3143102
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
CID 688072
4-cyclohexyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 132969830
4-methyl-N-(1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 744331
4-(3-fluoro-4-methylphenyl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72021830
1-(3-Fluoro-4-methylphenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 75448666
1-(2-Fluoro-4-methylphenyl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 75473024

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 1047016) is N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2nc(N(C)C)nc(N(C)C)n2)n2cnnc2)cc1.
What is the InChIKey of N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is RZBYENQJAHUFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N9O2S/c1-12-6-8-13(9-7-12)28(26,27)25(24-10-17-18-11-24)16-20-14(22(2)3)19-15(21-16)23(4)5/h6-11H,1-5H3.
What are the key properties of N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 403.47 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1047016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).