N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C14H12BrCl2N5O4S — CID 10480977

IUPACN-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)cc(Br)c(C)c3Cl)nc2n1
InChIInChI=1S/C14H12BrCl2N5O4S/c1-6-7(15)4-8(16)12(11(6)17)21-27(23,24)14-19-13-18-9(25-2)5-10(26-3)22(13)20-14/h4-5,21H,1-3H3
InChIKeyMHJBWECWARKURY-UHFFFAOYSA-N
MW497.16 g/mol
LogP3.32
Rot. Bonds5

About N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 10480977) has the molecular formula C14H12BrCl2N5O4S and a molecular weight of 497.16 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID10480977
Molecular FormulaC14H12BrCl2N5O4S
Molecular Weight497.16 g/mol
Exact Mass494.92
IUPAC NameN-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)cc(Br)c(C)c3Cl)nc2n1
InChIInChI=1S/C14H12BrCl2N5O4S/c1-6-7(15)4-8(16)12(11(6)17)21-27(23,24)14-19-13-18-9(25-2)5-10(26-3)22(13)20-14/h4-5,21H,1-3H3
InChIKeyMHJBWECWARKURY-UHFFFAOYSA-N
XLogP3.32
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[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-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 10480977) is N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)cc(Br)c(C)c3Cl)nc2n1.
What is the InChIKey of N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is MHJBWECWARKURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N5O4S/c1-6-7(15)4-8(16)12(11(6)17)21-27(23,24)14-19-13-18-9(25-2)5-10(26-3)22(13)20-14/h4-5,21H,1-3H3.
What are the key properties of N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 497.16 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 10480977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).