N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide

C9H10FNO3S — CID 59370772

IUPACN-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc([C@@H]2CO2)ccc1F
InChIInChI=1S/C9H10FNO3S/c1-15(12,13)11-8-4-6(9-5-14-9)2-3-7(8)10/h2-4,9,11H,5H2,1H3/t9-/m0/s1
InChIKeyZFLIENUHZLEXEW-VIFPVBQESA-N
MW231.25 g/mol
LogP1.27
Rot. Bonds3

About N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide

N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide (PubChem CID 59370772) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide
PubChem CID59370772
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC NameN-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc([C@@H]2CO2)ccc1F
InChIInChI=1S/C9H10FNO3S/c1-15(12,13)11-8-4-6(9-5-14-9)2-3-7(8)10/h2-4,9,11H,5H2,1H3/t9-/m0/s1
InChIKeyZFLIENUHZLEXEW-VIFPVBQESA-N
XLogP1.27
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide (CID 59370772) is N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc([C@@H]2CO2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide?
The InChIKey is ZFLIENUHZLEXEW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-15(12,13)11-8-4-6(9-5-14-9)2-3-7(8)10/h2-4,9,11H,5H2,1H3/t9-/m0/s1.
What are the key properties of N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide?
N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide has a molecular weight of 231.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2R)-oxiran-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59370772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).