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

C13H7ClFN3O2S — CID 115299138

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(F)ccc1O
InChIInChI=1S/C13H7ClFN3O2S/c14-8-2-3-9-12(18-21-17-9)11(8)16-13(20)7-5-6(15)1-4-10(7)19/h1-5,19H,(H,16,20)
InChIKeyOTUIEYFDHKQLQB-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.44
Rot. Bonds2

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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115299138) has the molecular formula C13H7ClFN3O2S and a molecular weight of 323.74 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID115299138
Molecular FormulaC13H7ClFN3O2S
Molecular Weight323.74 g/mol
Exact Mass322.99
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(F)ccc1O
InChIInChI=1S/C13H7ClFN3O2S/c14-8-2-3-9-12(18-21-17-9)11(8)16-13(20)7-5-6(15)1-4-10(7)19/h1-5,19H,(H,16,20)
InChIKeyOTUIEYFDHKQLQB-UHFFFAOYSA-N
XLogP3.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
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)-2-fluorobenzamide
CID 65475931
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107031240
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
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)-2-methylpropanamide
CID 17335846
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide (CID 115299138) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide is O=C(Nc1c(Cl)ccc2nsnc12)c1cc(F)ccc1O.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is OTUIEYFDHKQLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O2S/c14-8-2-3-9-12(18-21-17-9)11(8)16-13(20)7-5-6(15)1-4-10(7)19/h1-5,19H,(H,16,20).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 323.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115299138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).