N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide

C12H14BrN3O2S — CID 103580445

IUPACN-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)cn2)cc(C)c1Br
InChIInChI=1S/C12H14BrN3O2S/c1-8-4-10(5-9(2)12(8)13)15-19(17,18)11-6-16(3)7-14-11/h4-7,15H,1-3H3
InChIKeySQBJOQSTAIZWSB-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.60
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide

N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 103580445) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID103580445
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(C)cn2)cc(C)c1Br
InChIInChI=1S/C12H14BrN3O2S/c1-8-4-10(5-9(2)12(8)13)15-19(17,18)11-6-16(3)7-14-11/h4-7,15H,1-3H3
InChIKeySQBJOQSTAIZWSB-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62374468
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 106831921
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide (CID 103580445) is N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn(C)cn2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is SQBJOQSTAIZWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-8-4-10(5-9(2)12(8)13)15-19(17,18)11-6-16(3)7-14-11/h4-7,15H,1-3H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide?
N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103580445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).