2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C8H12F3N3O2S — CID 81340198

IUPAC2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-5(2)7-13-6(17(12,15)16)3-14(7)4-8(9,10)11/h3,5H,4H2,1-2H3,(H2,12,15,16)
InChIKeyZCRRNNRRQWJPFC-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.22
Rot. Bonds3

About 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 81340198) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID81340198
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-5(2)7-13-6(17(12,15)16)3-14(7)4-8(9,10)11/h3,5H,4H2,1-2H3,(H2,12,15,16)
InChIKeyZCRRNNRRQWJPFC-UHFFFAOYSA-N
XLogP1.22
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 81340198) is 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1CC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is ZCRRNNRRQWJPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-5(2)7-13-6(17(12,15)16)3-14(7)4-8(9,10)11/h3,5H,4H2,1-2H3,(H2,12,15,16).
What are the key properties of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81340198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).