N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide

C11H12BrN3O3S — CID 63999221

IUPACN-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(C)[nH]2)cc1Br
InChIInChI=1S/C11H12BrN3O3S/c1-7-13-6-11(14-7)19(16,17)15-8-3-4-10(18-2)9(12)5-8/h3-6,15H,1-2H3,(H,13,14)
InChIKeyUUOAEHVVBIHFIE-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.29
Rot. Bonds4

About N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 63999221) has the molecular formula C11H12BrN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID63999221
Molecular FormulaC11H12BrN3O3S
Molecular Weight346.21 g/mol
Exact Mass344.98
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(C)[nH]2)cc1Br
InChIInChI=1S/C11H12BrN3O3S/c1-7-13-6-11(14-7)19(16,17)15-8-3-4-10(18-2)9(12)5-8/h3-6,15H,1-2H3,(H,13,14)
InChIKeyUUOAEHVVBIHFIE-UHFFFAOYSA-N
XLogP2.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
N-(3-hydroxy-4-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64794398
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62999870
N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62997996
2-chloro-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 63000377
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62998902
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 63999221) is N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2cnc(C)[nH]2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is UUOAEHVVBIHFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S/c1-7-13-6-11(14-7)19(16,17)15-8-3-4-10(18-2)9(12)5-8/h3-6,15H,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 346.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 63999221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).