3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide

C11H12F2N4O2S — CID 60815193

IUPAC3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(N)n1
InChIInChI=1S/C11H12F2N4O2S/c1-2-17-6-10(11(14)15-17)20(18,19)16-9-4-7(12)3-8(13)5-9/h3-6,16H,2H2,1H3,(H2,14,15)
InChIKeyDAJWKQKZEMSRHY-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.56
Rot. Bonds4

About 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide

3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 60815193) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID60815193
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(N)n1
InChIInChI=1S/C11H12F2N4O2S/c1-2-17-6-10(11(14)15-17)20(18,19)16-9-4-7(12)3-8(13)5-9/h3-6,16H,2H2,1H3,(H2,14,15)
InChIKeyDAJWKQKZEMSRHY-UHFFFAOYSA-N
XLogP1.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-chloro-5-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 107363544
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521
3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide
CID 107596320
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 114386852
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide (CID 60815193) is 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(N)n1.
What is the InChIKey of 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is DAJWKQKZEMSRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c1-2-17-6-10(11(14)15-17)20(18,19)16-9-4-7(12)3-8(13)5-9/h3-6,16H,2H2,1H3,(H2,14,15).
What are the key properties of 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 302.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 60815193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).