N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C14H18BrN3O2S — CID 81288025

IUPACN-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C14H18BrN3O2S/c1-4-11-8-12(15)6-7-13(11)17-21(19,20)14-9-18(5-2)10(3)16-14/h6-9,17H,4-5H2,1-3H3
InChIKeyGBOBKSSTZXVEHO-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.34
Rot. Bonds5

About N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 81288025) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID81288025
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC NameN-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C14H18BrN3O2S/c1-4-11-8-12(15)6-7-13(11)17-21(19,20)14-9-18(5-2)10(3)16-14/h6-9,17H,4-5H2,1-3H3
InChIKeyGBOBKSSTZXVEHO-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81273250
N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62062819
1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
CID 75396743
N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064056
N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064796
N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63258965
N-[3-(aminomethyl)-4-fluorophenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62316776
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122304210
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 81288025) is N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is GBOBKSSTZXVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-4-11-8-12(15)6-7-13(11)17-21(19,20)14-9-18(5-2)10(3)16-14/h6-9,17H,4-5H2,1-3H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 372.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 81288025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).