2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C8H12F3N3O2S — CID 91241686

IUPAC2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCn1ccnc1CCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-14-4-3-12-7(14)2-5-17(15,16)13-6-8(9,10)11/h3-4,13H,2,5-6H2,1H3
InChIKeyHQPJTYNQZLOUND-UHFFFAOYSA-N
MW271.26 g/mol
LogP0.44
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 91241686) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID91241686
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCn1ccnc1CCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-14-4-3-12-7(14)2-5-17(15,16)13-6-8(9,10)11/h3-4,13H,2,5-6H2,1H3
InChIKeyHQPJTYNQZLOUND-UHFFFAOYSA-N
XLogP0.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874
1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11258643
1-Butyl-3-methylimidazolium trifluoromethanesulfonate
CID 2734246
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 12040508
1-Ethyl-2,3-dimethylimidazolium triflate
CID 16210995
1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 21932259
1-Ethyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 71310875
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CID 11475374
1-Ethyl-3-methylimidazolium bis(perfluoroethylsulfonyl)imide
CID 16212470

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 91241686) is 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is Cn1ccnc1CCS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is HQPJTYNQZLOUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-14-4-3-12-7(14)2-5-17(15,16)13-6-8(9,10)11/h3-4,13H,2,5-6H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 271.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 91241686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).