5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide

C11H13BrN4O3S — CID 82857389

IUPAC5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(N)ncn2C)ccc1Br
InChIInChI=1S/C11H13BrN4O3S/c1-16-6-14-10(13)11(16)20(17,18)15-7-3-4-8(12)9(5-7)19-2/h3-6,15H,13H2,1-2H3
InChIKeyBOLNVCBKKHVMQJ-UHFFFAOYSA-N
MW361.22 g/mol
LogP1.57
Rot. Bonds4

About 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide (PubChem CID 82857389) has the molecular formula C11H13BrN4O3S and a molecular weight of 361.22 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide
PubChem CID82857389
Molecular FormulaC11H13BrN4O3S
Molecular Weight361.22 g/mol
Exact Mass359.99
IUPAC Name5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(N)ncn2C)ccc1Br
InChIInChI=1S/C11H13BrN4O3S/c1-16-6-14-10(13)11(16)20(17,18)15-7-3-4-8(12)9(5-7)19-2/h3-6,15H,13H2,1-2H3
InChIKeyBOLNVCBKKHVMQJ-UHFFFAOYSA-N
XLogP1.57
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469
5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
CID 54601102
5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
CID 115375981
5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
CID 63978492
5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide
CID 107624736
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
CID 63980035
5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 107624377
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 107608901
5-amino-N-(5-chloro-2-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 63979821

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide (CID 82857389) is 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide is COc1cc(NS(=O)(=O)c2c(N)ncn2C)ccc1Br.
What is the InChIKey of 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is BOLNVCBKKHVMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O3S/c1-16-6-14-10(13)11(16)20(17,18)15-7-3-4-8(12)9(5-7)19-2/h3-6,15H,13H2,1-2H3.
What are the key properties of 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 82857389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).