5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide

C17H13ClN4O3S2 — CID 108780573

IUPAC5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C17H13ClN4O3S2/c1-25-14-8-7-12(18)9-15(14)27(23,24)21-16-19-17-22(20-16)13(10-26-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21)
InChIKeyAHXMVRWFYQBOTN-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.92
Rot. Bonds5

About 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide (PubChem CID 108780573) has the molecular formula C17H13ClN4O3S2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
PubChem CID108780573
Molecular FormulaC17H13ClN4O3S2
Molecular Weight420.90 g/mol
Exact Mass420.01
IUPAC Name5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C17H13ClN4O3S2/c1-25-14-8-7-12(18)9-15(14)27(23,24)21-16-19-17-22(20-16)13(10-26-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21)
InChIKeyAHXMVRWFYQBOTN-UHFFFAOYSA-N
XLogP3.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780743
3,4-dimethoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780578
2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780802
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 108780689
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108780619
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
CID 108780563
2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780603
5-chloro-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752239
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780706
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide (CID 108780573) is 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1nc2scc(-c3ccccc3)n2n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide?
The InChIKey is AHXMVRWFYQBOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S2/c1-25-14-8-7-12(18)9-15(14)27(23,24)21-16-19-17-22(20-16)13(10-26-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21).
What are the key properties of 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide has a molecular weight of 420.90 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 108780573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).