5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide

C13H6BrClFN3OS — CID 65475931

IUPAC5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrClFN3OS/c14-6-1-3-9(16)7(5-6)13(20)17-11-8(15)2-4-10-12(11)19-21-18-10/h1-5H,(H,17,20)
InChIKeyGIDZKQOMBCNYBX-UHFFFAOYSA-N
MW386.63 g/mol
LogP4.50
Rot. Bonds2

About 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide

5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide (PubChem CID 65475931) has the molecular formula C13H6BrClFN3OS and a molecular weight of 386.63 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
PubChem CID65475931
Molecular FormulaC13H6BrClFN3OS
Molecular Weight386.63 g/mol
Exact Mass384.91
IUPAC Name5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrClFN3OS/c14-6-1-3-9(16)7(5-6)13(20)17-11-8(15)2-4-10-12(11)19-21-18-10/h1-5H,(H,17,20)
InChIKeyGIDZKQOMBCNYBX-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107031240
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
CID 115299138
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)-4-fluorobenzamide
CID 6471882
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
CID 86782684
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)prop-2-enamide
CID 17274505
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide (CID 65475931) is 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide is O=C(Nc1c(Cl)ccc2nsnc12)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
The InChIKey is GIDZKQOMBCNYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClFN3OS/c14-6-1-3-9(16)7(5-6)13(20)17-11-8(15)2-4-10-12(11)19-21-18-10/h1-5H,(H,17,20).
What are the key properties of 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide?
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide has a molecular weight of 386.63 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 65475931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).