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

C11H13FN2O3S — CID 975442

IUPAC(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)/t10-/m0/s1
InChIKeyBPYSDGKSIAXINK-JTQLQIEISA-N
MW272.30 g/mol
LogP0.46
Rot. Bonds3

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

(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 975442) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID975442
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)/t10-/m0/s1
InChIKeyBPYSDGKSIAXINK-JTQLQIEISA-N
XLogP0.46
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 975442) is (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is BPYSDGKSIAXINK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)/t10-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).