N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide

C11H11BrFN3O2S — CID 103752880

IUPACN-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C11H11BrFN3O2S/c1-2-16-6-11(14-7-16)19(17,18)15-10-5-8(13)3-4-9(10)12/h3-7,15H,2H2,1H3
InChIKeyMWBHCCVHKWRHER-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.61
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide

N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 103752880) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
PubChem CID103752880
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C11H11BrFN3O2S/c1-2-16-6-11(14-7-16)19(17,18)15-10-5-8(13)3-4-9(10)12/h3-7,15H,2H2,1H3
InChIKeyMWBHCCVHKWRHER-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylimidazol-4-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016863
1-ethyl-N-(3-fluoro-4-hydroxyphenyl)imidazole-4-sulfonamide
CID 79372689
N-(2-chloro-3-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 103721869
N-(2-amino-5-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79372788
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
N-(5-amino-2-methoxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79372834
N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 103791860
1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
CID 107745907
1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
CID 79369162
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
3-chloro-4-[(1-ethylimidazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 107808694

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide (CID 103752880) is N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2cc(F)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is MWBHCCVHKWRHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-2-16-6-11(14-7-16)19(17,18)15-10-5-8(13)3-4-9(10)12/h3-7,15H,2H2,1H3.
What are the key properties of N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide?
N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 348.20 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 103752880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).