N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide

C11H10ClF2N3O2S — CID 83087161

IUPACN-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)[nH]1
InChIInChI=1S/C11H10ClF2N3O2S/c1-2-9-15-5-10(16-9)20(18,19)17-11-7(12)3-6(13)4-8(11)14/h3-5,17H,2H2,1H3,(H,15,16)
InChIKeyWGUYKADXUBFEEK-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.70
Rot. Bonds4

About N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 83087161) has the molecular formula C11H10ClF2N3O2S and a molecular weight of 321.74 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID83087161
Molecular FormulaC11H10ClF2N3O2S
Molecular Weight321.74 g/mol
Exact Mass321.02
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)[nH]1
InChIInChI=1S/C11H10ClF2N3O2S/c1-2-9-15-5-10(16-9)20(18,19)17-11-7(12)3-6(13)4-8(11)14/h3-5,17H,2H2,1H3,(H,15,16)
InChIKeyWGUYKADXUBFEEK-UHFFFAOYSA-N
XLogP2.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.70
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-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 107592693
N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
CID 83088363
N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,4,6-trifluorobenzenesulfonamide
CID 167771163
6-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 82890177
6-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83074226
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79729505
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522
N-(2-chloro-4,6-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 83088230
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106074619

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 83087161) is N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)[nH]1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is WGUYKADXUBFEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O2S/c1-2-9-15-5-10(16-9)20(18,19)17-11-7(12)3-6(13)4-8(11)14/h3-5,17H,2H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 321.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 83087161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).