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

C8H12F3N3O2S2 — CID 116628277

IUPAC2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CCSC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S2/c1-2-6-13-7(18(12,15)16)5-14(6)3-4-17-8(9,10)11/h5H,2-4H2,1H3,(H2,12,15,16)
InChIKeyKKEBSLPZNQCZEA-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.35
Rot. Bonds5

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

2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide (PubChem CID 116628277) has the molecular formula C8H12F3N3O2S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
PubChem CID116628277
Molecular FormulaC8H12F3N3O2S2
Molecular Weight303.33 g/mol
Exact Mass303.03
IUPAC Name2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CCSC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S2/c1-2-6-13-7(18(12,15)16)5-14(6)3-4-17-8(9,10)11/h5H,2-4H2,1H3,(H2,12,15,16)
InChIKeyKKEBSLPZNQCZEA-UHFFFAOYSA-N
XLogP1.35
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide (CID 116628277) is 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1CCSC(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
The InChIKey is KKEBSLPZNQCZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S2/c1-2-6-13-7(18(12,15)16)5-14(6)3-4-17-8(9,10)11/h5H,2-4H2,1H3,(H2,12,15,16).
What are the key properties of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide?
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide has a molecular weight of 303.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 116628277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).