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

C13H19N7O2S — CID 11688636

IUPAC4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESCN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O2S/c1-19(2)12-16-11(17-13(18-12)20(3)4)15-9-5-7-10(8-6-9)23(14,21)22/h5-8H,1-4H3,(H2,14,21,22)(H,15,16,17,18)
InChIKeyOMCXNNLRKQYPQX-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.39
Rot. Bonds5

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

4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 11688636) has the molecular formula C13H19N7O2S and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID11688636
Molecular FormulaC13H19N7O2S
Molecular Weight337.41 g/mol
Exact Mass337.13
IUPAC Name4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESCN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O2S/c1-19(2)12-16-11(17-13(18-12)20(3)4)15-9-5-7-10(8-6-9)23(14,21)22/h5-8H,1-4H3,(H2,14,21,22)(H,15,16,17,18)
InChIKeyOMCXNNLRKQYPQX-UHFFFAOYSA-N
XLogP0.39
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]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-[[4-[[4-[(dimethylsulfamoylamino)methyl]phenyl]methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 121282010
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80887308
4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid
CID 67080801
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
CID 15788206
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
4-[[4-(2-methylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 140936146
4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 65035993
2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 141423014
3-[[4-(dimethylamino)-6-[4-(methanesulfonamido)anilino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid;ethane;sulfur trioxide
CID 160818573
4-acetyl-N-[2-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]ethyl]benzenesulfonamide
CID 172871592
6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62868831
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 11688636) is 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is CN(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is OMCXNNLRKQYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2S/c1-19(2)12-16-11(17-13(18-12)20(3)4)15-9-5-7-10(8-6-9)23(14,21)22/h5-8H,1-4H3,(H2,14,21,22)(H,15,16,17,18).
What are the key properties of 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11688636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).