2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide

C7H10F3N3O2S2 — CID 116628274

IUPAC2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CCSC(F)(F)F
InChIInChI=1S/C7H10F3N3O2S2/c1-5-12-6(17(11,14)15)4-13(5)2-3-16-7(8,9)10/h4H,2-3H2,1H3,(H2,11,14,15)
InChIKeyJMQLQNWOOFWLLK-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide

2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide (PubChem CID 116628274) has the molecular formula C7H10F3N3O2S2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
PubChem CID116628274
Molecular FormulaC7H10F3N3O2S2
Molecular Weight289.30 g/mol
Exact Mass289.02
IUPAC Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CCSC(F)(F)F
InChIInChI=1S/C7H10F3N3O2S2/c1-5-12-6(17(11,14)15)4-13(5)2-3-16-7(8,9)10/h4H,2-3H2,1H3,(H2,11,14,15)
InChIKeyJMQLQNWOOFWLLK-UHFFFAOYSA-N
XLogP1.09
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1,2-Dimethylimidazole-4-sulfonyl chloride
CID 2736256
4-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)thiomorpholine
CID 72024489
1,2-dimethyl-1H-imidazole-5-sulfonyl chloride
CID 2736258
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
1-ethyl-2-methyl-1H-imidazole-5-sulfonyl chloride
CID 50987958
1-(2,2,2-trifluoroethyl)-1H-imidazole-4-sulfonyl chloride
CID 64145707
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
1-(2,2,2-trifluoroethyl)-1H-imidazole-4-sulfonamide
CID 81339886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide (CID 116628274) is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1CCSC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
The InChIKey is JMQLQNWOOFWLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S2/c1-5-12-6(17(11,14)15)4-13(5)2-3-16-7(8,9)10/h4H,2-3H2,1H3,(H2,11,14,15).
What are the key properties of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide has a molecular weight of 289.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 116628274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).