2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide

C13H6Cl3N3OS — CID 17274617

IUPAC2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl3N3OS/c14-6-1-2-8(15)7(5-6)13(20)17-11-9(16)3-4-10-12(11)19-21-18-10/h1-5H,(H,17,20)
InChIKeyGTUNPJHVZBPHJE-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.90
Rot. Bonds2

About 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide

2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide (PubChem CID 17274617) has the molecular formula C13H6Cl3N3OS and a molecular weight of 358.64 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
PubChem CID17274617
Molecular FormulaC13H6Cl3N3OS
Molecular Weight358.64 g/mol
Exact Mass356.93
IUPAC Name2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl3N3OS/c14-6-1-2-8(15)7(5-6)13(20)17-11-9(16)3-4-10-12(11)19-21-18-10/h1-5H,(H,17,20)
InChIKeyGTUNPJHVZBPHJE-UHFFFAOYSA-N
XLogP4.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
CID 65475931
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107031240
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
CID 115299138
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide
CID 65452578
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 65473609
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
CID 86782684
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide (CID 17274617) is 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide is O=C(Nc1c(Cl)ccc2nsnc12)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide?
The InChIKey is GTUNPJHVZBPHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3N3OS/c14-6-1-2-8(15)7(5-6)13(20)17-11-9(16)3-4-10-12(11)19-21-18-10/h1-5H,(H,17,20).
What are the key properties of 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide?
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide has a molecular weight of 358.64 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide is sourced from PubChem (CID 17274617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).