2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C6H8F3N3O2S — CID 81339711

IUPAC2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S/c1-4-11-5(15(10,13)14)2-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,13,14)
InChIKeyZDUNPPIVKUVBGJ-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.40
Rot. Bonds2

About 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 81339711) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID81339711
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC Name2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S/c1-4-11-5(15(10,13)14)2-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,13,14)
InChIKeyZDUNPPIVKUVBGJ-UHFFFAOYSA-N
XLogP0.40
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 81339711) is 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1CC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is ZDUNPPIVKUVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c1-4-11-5(15(10,13)14)2-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,13,14).
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81339711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).