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

C5H6F3N3O2S — CID 81339886

IUPAC1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(F)(F)F)cn1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)2-11-1-4(10-3-11)14(9,12)13/h1,3H,2H2,(H2,9,12,13)
InChIKeyPWQPPPNVAZXSKO-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.09
Rot. Bonds2

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

1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 81339886) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID81339886
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC Name1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(F)(F)F)cn1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)2-11-1-4(10-3-11)14(9,12)13/h1,3H,2H2,(H2,9,12,13)
InChIKeyPWQPPPNVAZXSKO-UHFFFAOYSA-N
XLogP0.09
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1-Ethyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 71310875
1,2-Dimethylimidazole-4-sulfonyl chloride
CID 2736256
1-methyl-1H-imidazole-4-sulfonyl chloride
CID 2736887
1,2-dimethyl-1H-imidazole-5-sulfonyl chloride
CID 2736258
1-methyl-1H-imidazole-5-sulfonyl chloride
CID 2736888
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-1H-imidazole-2-sulfonamide
CID 15417761
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
1-Vinyl-3H-imidazolium bis(trifluoromethanesulfonyl)imide
CID 134128844

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 81339886) is 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is NS(=O)(=O)c1cn(CC(F)(F)F)cn1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is PWQPPPNVAZXSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c6-5(7,8)2-11-1-4(10-3-11)14(9,12)13/h1,3H,2H2,(H2,9,12,13).
What are the key properties of 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81339886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).