ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate

C8H11F2N3O4S — CID 115405551

IUPACethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H11F2N3O4S/c1-2-17-8(14)5-3-11-13-7(5)18(15,16)12-4-6(9)10/h3,6,12H,2,4H2,1H3,(H,11,13)
InChIKeyHGZLUFDKXINIAE-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.13
Rot. Bonds6

About ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 115405551) has the molecular formula C8H11F2N3O4S and a molecular weight of 283.26 g/mol. Its IUPAC name is ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID115405551
Molecular FormulaC8H11F2N3O4S
Molecular Weight283.26 g/mol
Exact Mass283.04
IUPAC Nameethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H11F2N3O4S/c1-2-17-8(14)5-3-11-13-7(5)18(15,16)12-4-6(9)10/h3,6,12H,2,4H2,1H3,(H,11,13)
InChIKeyHGZLUFDKXINIAE-UHFFFAOYSA-N
XLogP0.13
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 115405551) is ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(F)F.
What is the InChIKey of ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is HGZLUFDKXINIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O4S/c1-2-17-8(14)5-3-11-13-7(5)18(15,16)12-4-6(9)10/h3,6,12H,2,4H2,1H3,(H,11,13).
What are the key properties of ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 283.26 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-difluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 115405551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).