N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide

C12H15BrN4O2S — CID 62998550

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cc(Br)ccc2N(C)C)[nH]1
InChIInChI=1S/C12H15BrN4O2S/c1-8-14-7-12(15-8)20(18,19)16-10-6-9(13)4-5-11(10)17(2)3/h4-7,16H,1-3H3,(H,14,15)
InChIKeyBHFPOBFOAVWFEW-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.35
Rot. Bonds4

About N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 62998550) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID62998550
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cc(Br)ccc2N(C)C)[nH]1
InChIInChI=1S/C12H15BrN4O2S/c1-8-14-7-12(15-8)20(18,19)16-10-6-9(13)4-5-11(10)17(2)3/h4-7,16H,1-3H3,(H,14,15)
InChIKeyBHFPOBFOAVWFEW-UHFFFAOYSA-N
XLogP2.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63903278
N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 61273698
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
N-(5-bromo-3-methyl-2-pyridinyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422363
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
N-(5-chloro-2-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997807
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
CID 61053133
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-[5-bromo-2-(dimethylamino)phenyl]propane-1-sulfonamide
CID 60651582
N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113257304
2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
CID 62999451
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422171

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 62998550) is N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2cc(Br)ccc2N(C)C)[nH]1.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is BHFPOBFOAVWFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-8-14-7-12(15-8)20(18,19)16-10-6-9(13)4-5-11(10)17(2)3/h4-7,16H,1-3H3,(H,14,15).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62998550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).