3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide

C7H12F2N4O2S — CID 115405368

IUPAC3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(F)F)c(N)n1
InChIInChI=1S/C7H12F2N4O2S/c1-2-13-4-5(7(10)12-13)16(14,15)11-3-6(8)9/h4,6,11H,2-3H2,1H3,(H2,10,12)
InChIKeyRQODFRREQGXOON-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.03
Rot. Bonds5

About 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide

3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 115405368) has the molecular formula C7H12F2N4O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID115405368
Molecular FormulaC7H12F2N4O2S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(F)F)c(N)n1
InChIInChI=1S/C7H12F2N4O2S/c1-2-13-4-5(7(10)12-13)16(14,15)11-3-6(8)9/h4,6,11H,2-3H2,1H3,(H2,10,12)
InChIKeyRQODFRREQGXOON-UHFFFAOYSA-N
XLogP0.03
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 60815193
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274993
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide (CID 115405368) is 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(F)F)c(N)n1.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is RQODFRREQGXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2S/c1-2-13-4-5(7(10)12-13)16(14,15)11-3-6(8)9/h4,6,11H,2-3H2,1H3,(H2,10,12).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide?
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 254.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 115405368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).