N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide

C12H13BrFN3O2S — CID 107592693

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)[nH]1
InChIInChI=1S/C12H13BrFN3O2S/c1-3-11-15-6-12(16-11)20(18,19)17-10-5-8(13)9(14)4-7(10)2/h4-6,17H,3H2,1-2H3,(H,15,16)
InChIKeySLEVYPZGNGJIHF-UHFFFAOYSA-N
MW362.22 g/mol
LogP2.98
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 107592693) has the molecular formula C12H13BrFN3O2S and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID107592693
Molecular FormulaC12H13BrFN3O2S
Molecular Weight362.22 g/mol
Exact Mass360.99
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)[nH]1
InChIInChI=1S/C12H13BrFN3O2S/c1-3-11-15-6-12(16-11)20(18,19)17-10-5-8(13)9(14)4-7(10)2/h4-6,17H,3H2,1-2H3,(H,15,16)
InChIKeySLEVYPZGNGJIHF-UHFFFAOYSA-N
XLogP2.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103586974
N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103144766
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79729505
N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114259506
N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 83087161
4-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 107799032
5-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 82694218
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799125
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 107592693) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)[nH]1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is SLEVYPZGNGJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O2S/c1-3-11-15-6-12(16-11)20(18,19)17-10-5-8(13)9(14)4-7(10)2/h4-6,17H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 362.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 107592693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).