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

C14H8Cl2N4O2S3 — CID 108780706

IUPACN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1)c1cccs1
InChIInChI=1S/C14H8Cl2N4O2S3/c15-8-3-4-9(10(16)6-8)11-7-24-14-17-13(18-20(11)14)19-25(21,22)12-2-1-5-23-12/h1-7H,(H,18,19)
InChIKeyIHNUHAGTZKMLMQ-UHFFFAOYSA-N
MW431.35 g/mol
LogP4.63
Rot. Bonds4

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

N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide (PubChem CID 108780706) has the molecular formula C14H8Cl2N4O2S3 and a molecular weight of 431.35 g/mol. Its IUPAC name is N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
PubChem CID108780706
Molecular FormulaC14H8Cl2N4O2S3
Molecular Weight431.35 g/mol
Exact Mass429.92
IUPAC NameN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1)c1cccs1
InChIInChI=1S/C14H8Cl2N4O2S3/c15-8-3-4-9(10(16)6-8)11-7-24-14-17-13(18-20(11)14)19-25(21,22)12-2-1-5-23-12/h1-7H,(H,18,19)
InChIKeyIHNUHAGTZKMLMQ-UHFFFAOYSA-N
XLogP4.63
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-carboxamide
CID 108728681
5-chloro-2-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780743
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108728630
3-bromo-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728672
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728583
(E)-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]but-2-enamide
CID 108752442
2-(2,4-dichlorophenoxy)-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752522
5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780573
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-ethoxybenzenesulfonamide
CID 108783133
2-chloro-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-nitrobenzamide
CID 108728603
[4-[[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]phenyl] acetate
CID 108728567

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide (CID 108780706) is N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1)c1cccs1.
What is the InChIKey of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is IHNUHAGTZKMLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4O2S3/c15-8-3-4-9(10(16)6-8)11-7-24-14-17-13(18-20(11)14)19-25(21,22)12-2-1-5-23-12/h1-7H,(H,18,19).
What are the key properties of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide?
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 431.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 108780706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).