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

C14H12Cl2N4O4S — CID 21464438

IUPACN-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
SMILESCOc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nc2c1
InChIInChI=1S/C14H12Cl2N4O4S/c1-23-8-6-11-17-14(18-20(11)12(7-8)24-2)25(21,22)19-13-9(15)4-3-5-10(13)16/h3-7,19H,1-2H3
InChIKeyMOMAOOVEHFPLEG-UHFFFAOYSA-N
MW403.25 g/mol
LogP2.85
Rot. Bonds5

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

N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide (PubChem CID 21464438) has the molecular formula C14H12Cl2N4O4S and a molecular weight of 403.25 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
PubChem CID21464438
Molecular FormulaC14H12Cl2N4O4S
Molecular Weight403.25 g/mol
Exact Mass402.00
IUPAC NameN-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
SMILESCOc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nc2c1
InChIInChI=1S/C14H12Cl2N4O4S/c1-23-8-6-11-17-14(18-20(11)12(7-8)24-2)25(21,22)19-13-9(15)4-3-5-10(13)16/h3-7,19H,1-2H3
InChIKeyMOMAOOVEHFPLEG-UHFFFAOYSA-N
XLogP2.85
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide (CID 21464438) is N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide is COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nc2c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The InChIKey is MOMAOOVEHFPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O4S/c1-23-8-6-11-17-14(18-20(11)12(7-8)24-2)25(21,22)19-13-9(15)4-3-5-10(13)16/h3-7,19H,1-2H3.
What are the key properties of N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide has a molecular weight of 403.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide is sourced from PubChem (CID 21464438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).