N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide

C14H10BrN3O2S — CID 1357053

IUPACN-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C14H10BrN3O2S/c1-20-12-6-5-8(15)7-9(12)14(19)16-10-3-2-4-11-13(10)18-21-17-11/h2-7H,1H3,(H,16,19)
InChIKeyUNAGYJGXLPQSBS-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.71
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide

N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide (PubChem CID 1357053) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide
PubChem CID1357053
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cccc2nsnc12
InChIInChI=1S/C14H10BrN3O2S/c1-20-12-6-5-8(15)7-9(12)14(19)16-10-3-2-4-11-13(10)18-21-17-11/h2-7H,1H3,(H,16,19)
InChIKeyUNAGYJGXLPQSBS-UHFFFAOYSA-N
XLogP3.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide (CID 1357053) is N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide?
The InChIKey is UNAGYJGXLPQSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c1-20-12-6-5-8(15)7-9(12)14(19)16-10-3-2-4-11-13(10)18-21-17-11/h2-7H,1H3,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide has a molecular weight of 364.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide is sourced from PubChem (CID 1357053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).