N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide

C12H15FN2O3S — CID 126653787

IUPACN-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C12H15FN2O3S/c13-9-6-11(14-7-9)12(16)8-15-19(17,18)10-4-2-1-3-5-10/h1-5,9,11,14-15H,6-8H2/t9-,11+/m1/s1
InChIKeyVDZLJTIICLGMQH-KOLCDFICSA-N
MW286.33 g/mol
LogP0.23
Rot. Bonds5

About N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide

N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 126653787) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID126653787
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC NameN-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C12H15FN2O3S/c13-9-6-11(14-7-9)12(16)8-15-19(17,18)10-4-2-1-3-5-10/h1-5,9,11,14-15H,6-8H2/t9-,11+/m1/s1
InChIKeyVDZLJTIICLGMQH-KOLCDFICSA-N
XLogP0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide (CID 126653787) is N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is VDZLJTIICLGMQH-KOLCDFICSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-9-6-11(14-7-9)12(16)8-15-19(17,18)10-4-2-1-3-5-10/h1-5,9,11,14-15H,6-8H2/t9-,11+/m1/s1.
What are the key properties of N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide?
N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 126653787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).