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

C12H10Cl2N6O3S — CID 14255274

IUPACN-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(=O)n1C
InChIInChI=1S/C12H10Cl2N6O3S/c1-6-15-10-16-11(17-20(10)12(21)19(6)2)24(22,23)18-9-7(13)4-3-5-8(9)14/h3-5,18H,1-2H3
InChIKeySEUYECYOJSBDTD-UHFFFAOYSA-N
MW389.22 g/mol
LogP1.24
Rot. Bonds3

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

N-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide (PubChem CID 14255274) has the molecular formula C12H10Cl2N6O3S and a molecular weight of 389.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
PubChem CID14255274
Molecular FormulaC12H10Cl2N6O3S
Molecular Weight389.22 g/mol
Exact Mass387.99
IUPAC NameN-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(=O)n1C
InChIInChI=1S/C12H10Cl2N6O3S/c1-6-15-10-16-11(17-20(10)12(21)19(6)2)24(22,23)18-9-7(13)4-3-5-8(9)14/h3-5,18H,1-2H3
InChIKeySEUYECYOJSBDTD-UHFFFAOYSA-N
XLogP1.24
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[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-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide (CID 14255274) is N-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[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-oxo-[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-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide is Cc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(=O)n1C.
What is the InChIKey of N-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
The InChIKey is SEUYECYOJSBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N6O3S/c1-6-15-10-16-11(17-20(10)12(21)19(6)2)24(22,23)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-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide?
N-(2,6-dichlorophenyl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide has a molecular weight of 389.22 g/mol, XLogP of 1.24, 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-oxo-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide is sourced from PubChem (CID 14255274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).