N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide

C14H12Cl2N6O2S — CID 14304453

IUPACN-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide
SMILESCc1cc(C)nc(-n2cnc(S(=O)(=O)Nc3c(Cl)cccc3Cl)n2)n1
InChIInChI=1S/C14H12Cl2N6O2S/c1-8-6-9(2)19-13(18-8)22-7-17-14(20-22)25(23,24)21-12-10(15)4-3-5-11(12)16/h3-7,21H,1-2H3
InChIKeyHMIPXGLBNDDOBI-UHFFFAOYSA-N
MW399.26 g/mol
LogP2.78
Rot. Bonds4

About N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide

N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide (PubChem CID 14304453) has the molecular formula C14H12Cl2N6O2S and a molecular weight of 399.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide
PubChem CID14304453
Molecular FormulaC14H12Cl2N6O2S
Molecular Weight399.26 g/mol
Exact Mass398.01
IUPAC NameN-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide
SMILESCc1cc(C)nc(-n2cnc(S(=O)(=O)Nc3c(Cl)cccc3Cl)n2)n1
InChIInChI=1S/C14H12Cl2N6O2S/c1-8-6-9(2)19-13(18-8)22-7-17-14(20-22)25(23,24)21-12-10(15)4-3-5-11(12)16/h3-7,21H,1-2H3
InChIKeyHMIPXGLBNDDOBI-UHFFFAOYSA-N
XLogP2.78
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide
CID 14304455
N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155220
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
N-(2,6-dichlorophenyl)-5,6-dimethyl-7-sulfanylidene-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
CID 14255275
N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
CID 21464438
N-(2,6-dichlorophenyl)-7-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 136702893
N-(2-chloro-6-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155298
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155157
methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate
CID 139627836
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide (CID 14304453) is N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide is Cc1cc(C)nc(-n2cnc(S(=O)(=O)Nc3c(Cl)cccc3Cl)n2)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is HMIPXGLBNDDOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N6O2S/c1-8-6-9(2)19-13(18-8)22-7-17-14(20-22)25(23,24)21-12-10(15)4-3-5-11(12)16/h3-7,21H,1-2H3.
What are the key properties of N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide?
N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 399.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 14304453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).