2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide

C9H14F3N3O3S — CID 81340569

IUPAC2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCOC(F)(F)F
InChIInChI=1S/C9H14F3N3O3S/c1-6(2)8-14-7(19(13,16)17)5-15(8)3-4-18-9(10,11)12/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyQQPNXYGSFMAPIZ-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.19
Rot. Bonds5

About 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide

2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide (PubChem CID 81340569) has the molecular formula C9H14F3N3O3S and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
PubChem CID81340569
Molecular FormulaC9H14F3N3O3S
Molecular Weight301.29 g/mol
Exact Mass301.07
IUPAC Name2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCOC(F)(F)F
InChIInChI=1S/C9H14F3N3O3S/c1-6(2)8-14-7(19(13,16)17)5-15(8)3-4-18-9(10,11)12/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyQQPNXYGSFMAPIZ-UHFFFAOYSA-N
XLogP1.19
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide (CID 81340569) is 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1CCOC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
The InChIKey is QQPNXYGSFMAPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3S/c1-6(2)8-14-7(19(13,16)17)5-15(8)3-4-18-9(10,11)12/h5-6H,3-4H2,1-2H3,(H2,13,16,17).
What are the key properties of 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide?
2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide has a molecular weight of 301.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 81340569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).