1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide

C11H12F2N2O3S — CID 4988746

IUPAC1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O3S/c12-7-3-4-10(8(13)6-7)19(17,18)15-5-1-2-9(15)11(14)16/h3-4,6,9H,1-2,5H2,(H2,14,16)
InChIKeyZCVBWICGHAOXKJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.60
Rot. Bonds3

About 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide

1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 4988746) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID4988746
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O3S/c12-7-3-4-10(8(13)6-7)19(17,18)15-5-1-2-9(15)11(14)16/h3-4,6,9H,1-2,5H2,(H2,14,16)
InChIKeyZCVBWICGHAOXKJ-UHFFFAOYSA-N
XLogP0.60
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 4988746) is 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZCVBWICGHAOXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-7-3-4-10(8(13)6-7)19(17,18)15-5-1-2-9(15)11(14)16/h3-4,6,9H,1-2,5H2,(H2,14,16).
What are the key properties of 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide?
1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4988746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).