3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide

C12H14F3N5O2S — CID 122243782

IUPAC3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCCn1ccnc1-c1cnccn1
InChIInChI=1S/C12H14F3N5O2S/c13-12(14,15)1-8-23(21,22)19-5-7-20-6-4-18-11(20)10-9-16-2-3-17-10/h2-4,6,9,19H,1,5,7-8H2
InChIKeyYWIGBMWFYWYZAF-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.21
Rot. Bonds7

About 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 122243782) has the molecular formula C12H14F3N5O2S and a molecular weight of 349.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID122243782
Molecular FormulaC12H14F3N5O2S
Molecular Weight349.34 g/mol
Exact Mass349.08
IUPAC Name3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCCn1ccnc1-c1cnccn1
InChIInChI=1S/C12H14F3N5O2S/c13-12(14,15)1-8-23(21,22)19-5-7-20-6-4-18-11(20)10-9-16-2-3-17-10/h2-4,6,9,19H,1,5,7-8H2
InChIKeyYWIGBMWFYWYZAF-UHFFFAOYSA-N
XLogP1.21
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine
CID 171530449
N-[(2,6-dimethylimidazo[1,2-a]pyrazin-8-yl)methyl]-1,1-difluoromethanesulfonamide
CID 172302224
N-[(2,6-dimethylimidazo[1,2-a]pyrazin-8-yl)methyl]-1-fluoromethanesulfonamide
CID 172303524
N-[(2,6-dimethylimidazo[1,2-a]pyrazin-8-yl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 172303748
[5-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]methanamine
CID 176394183
3,3,3-trifluoro-N-(2-((6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)propane-1-sulfonamide
CID 122291013
3,3,3-trifluoro-N-(2-((2-methyl-6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)propane-1-sulfonamide
CID 122291269
3,3,3-trifluoro-N-(2-(pyrrolidin-1-yl)pyrimidin-5-yl)propane-1-sulfonamide
CID 122298377
N-(2-((6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 122328867
N-[[(5S)-7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
CID 124245698
N-[[(5R)-7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
CID 124245699
N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide
CID 131641917

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide (CID 122243782) is 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCCn1ccnc1-c1cnccn1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is YWIGBMWFYWYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2S/c13-12(14,15)1-8-23(21,22)19-5-7-20-6-4-18-11(20)10-9-16-2-3-17-10/h2-4,6,9,19H,1,5,7-8H2.
What are the key properties of 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 349.34 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 122243782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).