N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide

C11H9BrN4O2S — CID 103580545

IUPACN-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Br)c1
InChIInChI=1S/C11H9BrN4O2S/c1-16-6-11(14-7-16)19(17,18)15-10-3-2-8(5-13)4-9(10)12/h2-4,6-7,15H,1H3
InChIKeyIECOTNYVMMUISG-UHFFFAOYSA-N
MW341.19 g/mol
LogP1.86
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide

N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 103580545) has the molecular formula C11H9BrN4O2S and a molecular weight of 341.19 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID103580545
Molecular FormulaC11H9BrN4O2S
Molecular Weight341.19 g/mol
Exact Mass339.96
IUPAC NameN-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Br)c1
InChIInChI=1S/C11H9BrN4O2S/c1-16-6-11(14-7-16)19(17,18)15-10-3-2-8(5-13)4-9(10)12/h2-4,6-7,15H,1H3
InChIKeyIECOTNYVMMUISG-UHFFFAOYSA-N
XLogP1.86
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 62374272
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 107790886
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
CID 71917183
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide
CID 61052379
N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 103791860
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide (CID 103580545) is N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is IECOTNYVMMUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2S/c1-16-6-11(14-7-16)19(17,18)15-10-3-2-8(5-13)4-9(10)12/h2-4,6-7,15H,1H3.
What are the key properties of N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide?
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 341.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103580545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).