(2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide

C9H11FN2O4S — CID 120916443

IUPAC(2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccco1
InChIInChI=1S/C9H11FN2O4S/c10-6-4-7(9(11)13)12(5-6)17(14,15)8-2-1-3-16-8/h1-3,6-7H,4-5H2,(H2,11,13)/t6-,7+/m1/s1
InChIKeyCBJSZMIJOOWZOU-RQJHMYQMSA-N
MW262.26 g/mol
LogP-0.13
Rot. Bonds3

About (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 120916443) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID120916443
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name(2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccco1
InChIInChI=1S/C9H11FN2O4S/c10-6-4-7(9(11)13)12(5-6)17(14,15)8-2-1-3-16-8/h1-3,6-7H,4-5H2,(H2,11,13)/t6-,7+/m1/s1
InChIKeyCBJSZMIJOOWZOU-RQJHMYQMSA-N
XLogP-0.13
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide (CID 120916443) is (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccco1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is CBJSZMIJOOWZOU-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c10-6-4-7(9(11)13)12(5-6)17(14,15)8-2-1-3-16-8/h1-3,6-7H,4-5H2,(H2,11,13)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 262.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120916443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).