ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate

C12H15F2N3O4S — CID 52978427

IUPACethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate
SMILESCCOC(=O)C1CNNC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O4S/c1-2-21-12(18)8-6-15-16-11(8)22(19,20)17-10-4-3-7(13)5-9(10)14/h3-5,8,11,15-17H,2,6H2,1H3
InChIKeyCJWBCFKIRJYCLL-UHFFFAOYSA-N
MW335.33 g/mol
LogP0.32
Rot. Bonds5

About ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate

ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate (PubChem CID 52978427) has the molecular formula C12H15F2N3O4S and a molecular weight of 335.33 g/mol. Its IUPAC name is ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate
PubChem CID52978427
Molecular FormulaC12H15F2N3O4S
Molecular Weight335.33 g/mol
Exact Mass335.08
IUPAC Nameethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate
SMILESCCOC(=O)C1CNNC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O4S/c1-2-21-12(18)8-6-15-16-11(8)22(19,20)17-10-4-3-7(13)5-9(10)14/h3-5,8,11,15-17H,2,6H2,1H3
InChIKeyCJWBCFKIRJYCLL-UHFFFAOYSA-N
XLogP0.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate (CID 52978427) is ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate is CCOC(=O)C1CNNC1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate?
The InChIKey is CJWBCFKIRJYCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O4S/c1-2-21-12(18)8-6-15-16-11(8)22(19,20)17-10-4-3-7(13)5-9(10)14/h3-5,8,11,15-17H,2,6H2,1H3.
What are the key properties of ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate?
ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate has a molecular weight of 335.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate is sourced from PubChem (CID 52978427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).