4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide

C13H6BrCl2N3OS — CID 60955307

IUPAC4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccc(Br)cc1
InChIInChI=1S/C13H6BrCl2N3OS/c14-7-3-1-6(2-4-7)13(20)17-10-8(15)5-9(16)11-12(10)19-21-18-11/h1-5H,(H,17,20)
InChIKeyDQJXMRZJWSVKQP-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.01
Rot. Bonds2

About 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide

4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide (PubChem CID 60955307) has the molecular formula C13H6BrCl2N3OS and a molecular weight of 403.09 g/mol. Its IUPAC name is 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
PubChem CID60955307
Molecular FormulaC13H6BrCl2N3OS
Molecular Weight403.09 g/mol
Exact Mass400.88
IUPAC Name4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccc(Br)cc1
InChIInChI=1S/C13H6BrCl2N3OS/c14-7-3-1-6(2-4-7)13(20)17-10-8(15)5-9(16)11-12(10)19-21-18-11/h1-5H,(H,17,20)
InChIKeyDQJXMRZJWSVKQP-UHFFFAOYSA-N
XLogP5.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide
CID 61053149
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 65473609
3-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65474758
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopropanecarboxamide
CID 64593204
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
CID 65475931
4-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-5-methylthiophene-2-carboxamide
CID 65474030
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide?
The IUPAC name of 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide (CID 60955307) is 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide is O=C(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide?
The InChIKey is DQJXMRZJWSVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2N3OS/c14-7-3-1-6(2-4-7)13(20)17-10-8(15)5-9(16)11-12(10)19-21-18-11/h1-5H,(H,17,20).
What are the key properties of 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide?
4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide has a molecular weight of 403.09 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzamide is sourced from PubChem (CID 60955307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).