1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide

C11H12BrN3O3S — CID 81340545

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide
SMILESCOc1ccc(Br)cc1Cn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C11H12BrN3O3S/c1-18-10-3-2-9(12)4-8(10)5-15-6-11(14-7-15)19(13,16)17/h2-4,6-7H,5H2,1H3,(H2,13,16,17)
InChIKeyGXDCEPASIFIROD-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.35
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide

1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 81340545) has the molecular formula C11H12BrN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide
PubChem CID81340545
Molecular FormulaC11H12BrN3O3S
Molecular Weight346.21 g/mol
Exact Mass344.98
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide
SMILESCOc1ccc(Br)cc1Cn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C11H12BrN3O3S/c1-18-10-3-2-9(12)4-8(10)5-15-6-11(14-7-15)19(13,16)17/h2-4,6-7H,5H2,1H3,(H2,13,16,17)
InChIKeyGXDCEPASIFIROD-UHFFFAOYSA-N
XLogP1.35
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanone
CID 79106520
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
3,5-dibromo-1-[(5-bromo-2-methoxyphenyl)methyl]pyrazole
CID 114692719
1-[(5-bromo-2-methoxyphenyl)methyl]-3-iodo-4-methylpyrazole
CID 79787179
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
1-[(4-tert-butylphenyl)methyl]imidazole-4-sulfonamide
CID 81339885
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
2-[(5-bromo-2-methoxyphenyl)methylsulfonyl]pyridine
CID 71917731
2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208005
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79372834

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide (CID 81340545) is 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide is COc1ccc(Br)cc1Cn1cnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is GXDCEPASIFIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S/c1-18-10-3-2-9(12)4-8(10)5-15-6-11(14-7-15)19(13,16)17/h2-4,6-7H,5H2,1H3,(H2,13,16,17).
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide?
1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 346.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81340545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).