N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide

C6H8F3N3O2S — CID 102691910

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H8F3N3O2S/c1-12(4-6(7,8)9)15(13,14)5-2-3-10-11-5/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDFVJWTDMRPJXMV-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.59
Rot. Bonds3

About N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide

N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691910) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691910
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H8F3N3O2S/c1-12(4-6(7,8)9)15(13,14)5-2-3-10-11-5/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDFVJWTDMRPJXMV-UHFFFAOYSA-N
XLogP0.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
3-methanesulfonyl-1H-pyrazole
CID 54023080
1H-Pyrazole-5-sulfonyl fluoride
CID 130871771
3-[(Trifluoromethyl)sulfonyl]pyrazole
CID 54057584
1H-pyrazole-5-sulfonic acid
CID 19014003
1H-Pyrazole-3-sulfonyl chloride
CID 53734186
5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-1H-pyrazole
CID 87075086
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
5-(fluoromethylsulfonyl)-1H-pyrazole
CID 141076191
fluoro 1H-pyrazole-5-sulfonate
CID 151130773
2-methylsulfanylethanamine;5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 158382503
5-(2,2,2-trifluoroethylsulfonyl)-1H-pyrazole
CID 174904802

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (CID 102691910) is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is DFVJWTDMRPJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c1-12(4-6(7,8)9)15(13,14)5-2-3-10-11-5/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).