N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide

C19H12ClN3OS — CID 165383016

IUPACN-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide
SMILESO=C(Nc1c(Cl)cccc1-c1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C19H12ClN3OS/c20-15-10-4-8-13(14-9-5-11-16-18(14)23-25-22-16)17(15)21-19(24)12-6-2-1-3-7-12/h1-11H,(H,21,24)
InChIKeyIDKSXQGTKWCDMI-UHFFFAOYSA-N
MW365.85 g/mol
LogP5.26
Rot. Bonds3

About N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide

N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide (PubChem CID 165383016) has the molecular formula C19H12ClN3OS and a molecular weight of 365.85 g/mol. Its IUPAC name is N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide
PubChem CID165383016
Molecular FormulaC19H12ClN3OS
Molecular Weight365.85 g/mol
Exact Mass365.04
IUPAC NameN-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide
SMILESO=C(Nc1c(Cl)cccc1-c1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C19H12ClN3OS/c20-15-10-4-8-13(14-9-5-11-16-18(14)23-25-22-16)17(15)21-19(24)12-6-2-1-3-7-12/h1-11H,(H,21,24)
InChIKeyIDKSXQGTKWCDMI-UHFFFAOYSA-N
XLogP5.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.85
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
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-(2-chloro-6-formylphenyl)benzamide
CID 175049860
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
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
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65452778
4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 60955307

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide?
The IUPAC name of N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide (CID 165383016) is N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide.
What is the SMILES notation for N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide?
The canonical SMILES for N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide is O=C(Nc1c(Cl)cccc1-c1cccc2nsnc12)c1ccccc1.
What is the InChIKey of N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide?
The InChIKey is IDKSXQGTKWCDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3OS/c20-15-10-4-8-13(14-9-5-11-16-18(14)23-25-22-16)17(15)21-19(24)12-6-2-1-3-7-12/h1-11H,(H,21,24).
What are the key properties of N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide?
N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide has a molecular weight of 365.85 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide is sourced from PubChem (CID 165383016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).