N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

C12H14BrN3O3S — CID 62061591

IUPACN-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H14BrN3O3S/c1-8-14-12(7-16(8)2)20(17,18)15-10-6-9(13)4-5-11(10)19-3/h4-7,15H,1-3H3
InChIKeyJHWWKEOIVAFQGX-UHFFFAOYSA-N
MW360.23 g/mol
LogP2.30
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 62061591) has the molecular formula C12H14BrN3O3S and a molecular weight of 360.23 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID62061591
Molecular FormulaC12H14BrN3O3S
Molecular Weight360.23 g/mol
Exact Mass358.99
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H14BrN3O3S/c1-8-14-12(7-16(8)2)20(17,18)15-10-6-9(13)4-5-11(10)19-3/h4-7,15H,1-3H3
InChIKeyJHWWKEOIVAFQGX-UHFFFAOYSA-N
XLogP2.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 102671829
N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 60533343
N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063485
N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 53008171
N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 81422954
N-[2-(1-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031566
N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 106831909
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 64788920
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 62061591) is N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is COc1ccc(Br)cc1NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is JHWWKEOIVAFQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S/c1-8-14-12(7-16(8)2)20(17,18)15-10-6-9(13)4-5-11(10)19-3/h4-7,15H,1-3H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 360.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62061591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).