N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C14H13Cl2N5O2S — CID 14155220

IUPACN-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(C)c1C
InChIInChI=1S/C14H13Cl2N5O2S/c1-7-8(2)17-13-18-14(19-21(13)9(7)3)24(22,23)20-12-10(15)5-4-6-11(12)16/h4-6,20H,1-3H3
InChIKeyYIJBAGCLUOEESH-UHFFFAOYSA-N
MW386.26 g/mol
LogP3.16
Rot. Bonds3

About N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155220) has the molecular formula C14H13Cl2N5O2S and a molecular weight of 386.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155220
Molecular FormulaC14H13Cl2N5O2S
Molecular Weight386.26 g/mol
Exact Mass385.02
IUPAC NameN-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(C)c1C
InChIInChI=1S/C14H13Cl2N5O2S/c1-7-8(2)17-13-18-14(19-21(13)9(7)3)24(22,23)20-12-10(15)5-4-6-11(12)16/h4-6,20H,1-3H3
InChIKeyYIJBAGCLUOEESH-UHFFFAOYSA-N
XLogP3.16
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-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)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155220) is N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1nc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn2c(C)c1C.
What is the InChIKey of N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is YIJBAGCLUOEESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O2S/c1-7-8(2)17-13-18-14(19-21(13)9(7)3)24(22,23)20-12-10(15)5-4-6-11(12)16/h4-6,20H,1-3H3.
What are the key properties of N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 386.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).