(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

C11H13FN2O4S — CID 99960030

IUPAC(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O4S/c12-7-1-3-9(4-2-7)19(17,18)14-6-8(15)5-10(14)11(13)16/h1-4,8,10,15H,5-6H2,(H2,13,16)/t8-,10-/m0/s1
InChIKeySAQUVJVMNOAGFM-WPRPVWTQSA-N
MW288.30 g/mol
LogP-0.57
Rot. Bonds3

About (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 99960030) has the molecular formula C11H13FN2O4S and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID99960030
Molecular FormulaC11H13FN2O4S
Molecular Weight288.30 g/mol
Exact Mass288.06
IUPAC Name(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O4S/c12-7-1-3-9(4-2-7)19(17,18)14-6-8(15)5-10(14)11(13)16/h1-4,8,10,15H,5-6H2,(H2,13,16)/t8-,10-/m0/s1
InChIKeySAQUVJVMNOAGFM-WPRPVWTQSA-N
XLogP-0.57
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (CID 99960030) is (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is SAQUVJVMNOAGFM-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H13FN2O4S/c12-7-1-3-9(4-2-7)19(17,18)14-6-8(15)5-10(14)11(13)16/h1-4,8,10,15H,5-6H2,(H2,13,16)/t8-,10-/m0/s1.
What are the key properties of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 99960030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).