1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide

C6H8F3N3O2S — CID 106217693

IUPAC1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C6H8F3N3O2S/c1-4(5-2-10-11-3-5)12-15(13,14)6(7,8)9/h2-4,12H,1H3,(H,10,11)
InChIKeyRJJYHTZNVDLFQA-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.91
Rot. Bonds3

About 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide (PubChem CID 106217693) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
PubChem CID106217693
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC Name1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C6H8F3N3O2S/c1-4(5-2-10-11-3-5)12-15(13,14)6(7,8)9/h2-4,12H,1H3,(H,10,11)
InChIKeyRJJYHTZNVDLFQA-UHFFFAOYSA-N
XLogP0.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106217869
5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370
N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
CID 103854209
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
CID 113339062
4-fluoro-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217690

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide (CID 106217693) is 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide is CC(NS(=O)(=O)C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is RJJYHTZNVDLFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c1-4(5-2-10-11-3-5)12-15(13,14)6(7,8)9/h2-4,12H,1H3,(H,10,11).
What are the key properties of 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 106217693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).