N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide

C13H7BrClN3OS — CID 17313577

IUPACN-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc2nsnc2c1
InChIInChI=1S/C13H7BrClN3OS/c14-8-2-4-10(9(15)6-8)16-13(19)7-1-3-11-12(5-7)18-20-17-11/h1-6H,(H,16,19)
InChIKeyZHRTYVOIENFOAW-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.36
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide

N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 17313577) has the molecular formula C13H7BrClN3OS and a molecular weight of 368.64 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID17313577
Molecular FormulaC13H7BrClN3OS
Molecular Weight368.64 g/mol
Exact Mass366.92
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc2nsnc2c1
InChIInChI=1S/C13H7BrClN3OS/c14-8-2-4-10(9(15)6-8)16-13(19)7-1-3-11-12(5-7)18-20-17-11/h1-6H,(H,16,19)
InChIKeyZHRTYVOIENFOAW-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-(6-bromo-1,3-benzothiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
N-[(2,4,5-trichlorophenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 17313864
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
2-(2,1,3-benzothiadiazole-5-carbonylamino)benzoate
CID 6919302
N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-3-carboxamide
CID 134016007

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 17313577) is N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1ccc(Br)cc1Cl)c1ccc2nsnc2c1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is ZHRTYVOIENFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3OS/c14-8-2-4-10(9(15)6-8)16-13(19)7-1-3-11-12(5-7)18-20-17-11/h1-6H,(H,16,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 368.64 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 17313577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).