3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide

C17H17ClN4O3S — CID 53166656

IUPAC3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccn3c(C4CCC4)nnc23)cc1Cl
InChIInChI=1S/C17H17ClN4O3S/c1-25-15-8-7-12(10-13(15)18)26(23,24)21-14-6-3-9-22-16(11-4-2-5-11)19-20-17(14)22/h3,6-11,21H,2,4-5H2,1H3
InChIKeyAKLFPYIIVOZPMB-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.46
Rot. Bonds5

About 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide

3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide (PubChem CID 53166656) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide
PubChem CID53166656
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccn3c(C4CCC4)nnc23)cc1Cl
InChIInChI=1S/C17H17ClN4O3S/c1-25-15-8-7-12(10-13(15)18)26(23,24)21-14-6-3-9-22-16(11-4-2-5-11)19-20-17(14)22/h3,6-11,21H,2,4-5H2,1H3
InChIKeyAKLFPYIIVOZPMB-UHFFFAOYSA-N
XLogP3.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53166665
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide
CID 75458372
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764840
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 60532106
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide (CID 53166656) is 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccn3c(C4CCC4)nnc23)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide?
The InChIKey is AKLFPYIIVOZPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-25-15-8-7-12(10-13(15)18)26(23,24)21-14-6-3-9-22-16(11-4-2-5-11)19-20-17(14)22/h3,6-11,21H,2,4-5H2,1H3.
What are the key properties of 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide?
3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide has a molecular weight of 392.87 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 53166656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).