5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide

C11H13BrN4O2S — CID 107624377

IUPAC5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H13BrN4O2S/c1-7-8(12)4-3-5-9(7)15-19(17,18)11-10(13)14-6-16(11)2/h3-6,15H,13H2,1-2H3
InChIKeyKZYNNTDUZQKOLW-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.87
Rot. Bonds3

About 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide (PubChem CID 107624377) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
PubChem CID107624377
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H13BrN4O2S/c1-7-8(12)4-3-5-9(7)15-19(17,18)11-10(13)14-6-16(11)2/h3-6,15H,13H2,1-2H3
InChIKeyKZYNNTDUZQKOLW-UHFFFAOYSA-N
XLogP1.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 16029209
N-(4-bromo-3-methylphenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 16029213
5-chloro-N-(5-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415185
5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415219
N-(5-bromo-2-fluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 43555790
5-chloro-N-(3-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 61640598
5-amino-N-(5-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 63977535
5-amino-N-(3-fluoro-4-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 63977725
5-amino-N-(2-bromo-4,6-difluorophenyl)-3-methylimidazole-4-sulfonamide
CID 63977741
5-amino-N-(2-fluoro-4-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 63977925
5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 63978098
5-amino-N-(4-bromo-2-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 63978106

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide (CID 107624377) is 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide is Cc1c(Br)cccc1NS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is KZYNNTDUZQKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7-8(12)4-3-5-9(7)15-19(17,18)11-10(13)14-6-16(11)2/h3-6,15H,13H2,1-2H3.
What are the key properties of 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107624377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).