(2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C11H11F3N2O3S — CID 68761697

IUPAC(2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11F3N2O3S/c12-7-1-3-8(4-2-7)20(18,19)16-6-11(13,14)5-9(16)10(15)17/h1-4,9H,5-6H2,(H2,15,17)/t9-/m0/s1
InChIKeyRVVGRTYOZSWSHB-VIFPVBQESA-N
MW308.28 g/mol
LogP0.71
Rot. Bonds3

About (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 68761697) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID68761697
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name(2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11F3N2O3S/c12-7-1-3-8(4-2-7)20(18,19)16-6-11(13,14)5-9(16)10(15)17/h1-4,9H,5-6H2,(H2,15,17)/t9-/m0/s1
InChIKeyRVVGRTYOZSWSHB-VIFPVBQESA-N
XLogP0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 68761697) is (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RVVGRTYOZSWSHB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-7-1-3-8(4-2-7)20(18,19)16-6-11(13,14)5-9(16)10(15)17/h1-4,9H,5-6H2,(H2,15,17)/t9-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 308.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 68761697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).