1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

C11H10F3N3O2S — CID 3239000

IUPAC1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C11H10F3N3O2S/c1-17-6-10(15-7-17)20(18,19)16-9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3
InChIKeyQFMCGTGHSYOLIV-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.24
Rot. Bonds3

About 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (PubChem CID 3239000) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
PubChem CID3239000
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C11H10F3N3O2S/c1-17-6-10(15-7-17)20(18,19)16-9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3
InChIKeyQFMCGTGHSYOLIV-UHFFFAOYSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,1-dimethyl-1H-imidazole-4-sulfonamide
CID 2814463
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]indoline
CID 3237010
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049
2,5-difluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 47958757
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,1-dimethyl-1H-imidazole-4-sulfonamide
CID 53324142
2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 72544602
N-benzyl-1-methyl-1H-imidazole-4-sulfonamide
CID 3477441
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 20958612
N-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenyl]methanesulfonamide iodide
CID 13763398
US9656955, Example 68
CID 90405122
US9656955, Example 291
CID 90405164
US9656955, Example 190
CID 90405878

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (CID 3239000) is 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The InChIKey is QFMCGTGHSYOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-17-6-10(15-7-17)20(18,19)16-9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3.
What are the key properties of 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 3239000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).