N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide

C12H13F2N3O2S — CID 103586974

IUPACN-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(F)c(C)cc2F)[nH]1
InChIInChI=1S/C12H13F2N3O2S/c1-3-11-15-6-12(16-11)20(18,19)17-10-5-8(13)7(2)4-9(10)14/h4-6,17H,3H2,1-2H3,(H,15,16)
InChIKeyAPFXLZOWJBNYQD-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.36
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 103586974) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID103586974
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cc(F)c(C)cc2F)[nH]1
InChIInChI=1S/C12H13F2N3O2S/c1-3-11-15-6-12(16-11)20(18,19)17-10-5-8(13)7(2)4-9(10)14/h4-6,17H,3H2,1-2H3,(H,15,16)
InChIKeyAPFXLZOWJBNYQD-UHFFFAOYSA-N
XLogP2.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 107592693
N-(4-amino-2,5-dimethylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 103144766
N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 83087161
N-(2-bromo-5-iodophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114259506
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79729505
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799125
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522
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-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 103586974) is N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cc(F)c(C)cc2F)[nH]1.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is APFXLZOWJBNYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-3-11-15-6-12(16-11)20(18,19)17-10-5-8(13)7(2)4-9(10)14/h4-6,17H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103586974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).