N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide

C12H10Cl2N6O2S2 — CID 14255275

IUPACN-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(=S)n1C
InChIInChI=1S/C12H10Cl2N6O2S2/c1-6-15-10-16-11(17-20(10)12(23)19(6)2)24(21,22)18-9-7(13)4-3-5-8(9)14/h3-5,18H,1-2H3
InChIKeyRXPFZKKQXHCZFD-UHFFFAOYSA-N
MW405.29 g/mol
LogP2.61
Rot. Bonds3

About N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide

N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide (PubChem CID 14255275) has the molecular formula C12H10Cl2N6O2S2 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
PubChem CID14255275
Molecular FormulaC12H10Cl2N6O2S2
Molecular Weight405.29 g/mol
Exact Mass403.97
IUPAC NameN-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(=S)n1C
InChIInChI=1S/C12H10Cl2N6O2S2/c1-6-15-10-16-11(17-20(10)12(23)19(6)2)24(21,22)18-9-7(13)4-3-5-8(9)14/h3-5,18H,1-2H3
InChIKeyRXPFZKKQXHCZFD-UHFFFAOYSA-N
XLogP2.61
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide (CID 14255275) is N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide is Cc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(=S)n1C.
What is the InChIKey of N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
The InChIKey is RXPFZKKQXHCZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N6O2S2/c1-6-15-10-16-11(17-20(10)12(23)19(6)2)24(21,22)18-9-7(13)4-3-5-8(9)14/h3-5,18H,1-2H3.
What are the key properties of N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide has a molecular weight of 405.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide is sourced from PubChem (CID 14255275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).