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

C13H7ClFN3OS — CID 6471882

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(F)cc1
InChIInChI=1S/C13H7ClFN3OS/c14-9-5-6-10-12(18-20-17-10)11(9)16-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,16,19)
InChIKeyBGEIULZJOXWAQB-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.74
Rot. Bonds2

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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide (PubChem CID 6471882) has the molecular formula C13H7ClFN3OS and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
PubChem CID6471882
Molecular FormulaC13H7ClFN3OS
Molecular Weight307.74 g/mol
Exact Mass307.00
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(F)cc1
InChIInChI=1S/C13H7ClFN3OS/c14-9-5-6-10-12(18-20-17-10)11(9)16-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,16,19)
InChIKeyBGEIULZJOXWAQB-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
CID 86782684
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
CID 115299138
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-propan-2-yloxybenzamide
CID 3163998
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)acetamide
CID 2994664
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 65473609
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)-2-methylpropanamide
CID 17335846
N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide
CID 165383016

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide (CID 6471882) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide is O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
The InChIKey is BGEIULZJOXWAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3OS/c14-9-5-6-10-12(18-20-17-10)11(9)16-13(19)7-1-3-8(15)4-2-7/h1-6H,(H,16,19).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide has a molecular weight of 307.74 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 6471882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).