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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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).