5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide

C16H16BrN3O3S — CID 25041486

IUPAC5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H16BrN3O3S/c1-9-6-12-13(7-10(9)2)19-16(18-12)20-24(21,22)15-8-11(17)4-5-14(15)23-3/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyPBIJIAIULKBJOF-UHFFFAOYSA-N
MW410.29 g/mol
LogP3.75
Rot. Bonds4

About 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide

5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 25041486) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide
PubChem CID25041486
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC Name5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H16BrN3O3S/c1-9-6-12-13(7-10(9)2)19-16(18-12)20-24(21,22)15-8-11(17)4-5-14(15)23-3/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyPBIJIAIULKBJOF-UHFFFAOYSA-N
XLogP3.75
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537
5-bromo-2-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025140
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide (CID 25041486) is 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is PBIJIAIULKBJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c1-9-6-12-13(7-10(9)2)19-16(18-12)20-24(21,22)15-8-11(17)4-5-14(15)23-3/h4-8H,1-3H3,(H2,18,19,20).
What are the key properties of 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide?
5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 410.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 25041486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).