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

C11H16N6O2S — CID 170987803

IUPAC4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESCC1(C)N=C(N)NC(Nc2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(17-11)14-7-3-5-8(6-4-7)20(13,18)19/h3-6H,1-2H3,(H2,13,18,19)(H4,12,14,15,16,17)
InChIKeyOTJSJEDYXULVOR-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.24
Rot. Bonds2

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

4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide (PubChem CID 170987803) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide
PubChem CID170987803
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide
SMILESCC1(C)N=C(N)NC(Nc2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(17-11)14-7-3-5-8(6-4-7)20(13,18)19/h3-6H,1-2H3,(H2,13,18,19)(H4,12,14,15,16,17)
InChIKeyOTJSJEDYXULVOR-UHFFFAOYSA-N
XLogP-0.24
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
CID 651581
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
4-[(6-aminopyrimidin-3-ium-4-yl)amino]benzenesulfonamide chloride
CID 44721563
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
4-N-(4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
CID 2267399
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide
CID 15764446
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
CID 15788206
5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
CID 86701915
(4-sulfamoylanilino)azanium chloride
CID 2736519
4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide (CID 170987803) is 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide is CC1(C)N=C(N)NC(Nc2ccc(S(N)(=O)=O)cc2)=N1.
What is the InChIKey of 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
The InChIKey is OTJSJEDYXULVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(17-11)14-7-3-5-8(6-4-7)20(13,18)19/h3-6H,1-2H3,(H2,13,18,19)(H4,12,14,15,16,17).
What are the key properties of 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide?
4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide has a molecular weight of 296.36 g/mol, XLogP of -0.24, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 170987803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).