N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide

C18H14Cl2N4O3S2 — CID 108783133

IUPACN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3scc(-c4cc(Cl)ccc4Cl)n3n2)cc1
InChIInChI=1S/C18H14Cl2N4O3S2/c1-2-27-12-4-6-13(7-5-12)29(25,26)23-17-21-18-24(22-17)16(10-28-18)14-9-11(19)3-8-15(14)20/h3-10H,2H2,1H3,(H,22,23)
InChIKeyMUJSDWHKIDYFBQ-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.96
Rot. Bonds6

About N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide

N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide (PubChem CID 108783133) has the molecular formula C18H14Cl2N4O3S2 and a molecular weight of 469.38 g/mol. Its IUPAC name is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide
PubChem CID108783133
Molecular FormulaC18H14Cl2N4O3S2
Molecular Weight469.38 g/mol
Exact Mass467.99
IUPAC NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3scc(-c4cc(Cl)ccc4Cl)n3n2)cc1
InChIInChI=1S/C18H14Cl2N4O3S2/c1-2-27-12-4-6-13(7-5-12)29(25,26)23-17-21-18-24(22-17)16(10-28-18)14-9-11(19)3-8-15(14)20/h3-10H,2H2,1H3,(H,22,23)
InChIKeyMUJSDWHKIDYFBQ-UHFFFAOYSA-N
XLogP4.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780737
4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
2-chloro-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108742412
4-chloro-N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-nitrobenzenesulfonamide
CID 108780686
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
[4-[[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]phenyl] acetate
CID 108728567
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
CID 108783775
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108742421

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide (CID 108783133) is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nc3scc(-c4cc(Cl)ccc4Cl)n3n2)cc1.
What is the InChIKey of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is MUJSDWHKIDYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3S2/c1-2-27-12-4-6-13(7-5-12)29(25,26)23-17-21-18-24(22-17)16(10-28-18)14-9-11(19)3-8-15(14)20/h3-10H,2H2,1H3,(H,22,23).
What are the key properties of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide?
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 469.38 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 108783133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).