N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide

C14H12FNO3S — CID 102109122

IUPACN-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide
SMILESO=C(CS(=O)(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FNO3S/c15-12-6-8-13(9-7-12)16-20(18,19)10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyFLKRQVUORBIRIP-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.45
Rot. Bonds5

About N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide

N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide (PubChem CID 102109122) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide
PubChem CID102109122
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC NameN-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide
SMILESO=C(CS(=O)(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FNO3S/c15-12-6-8-13(9-7-12)16-20(18,19)10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyFLKRQVUORBIRIP-UHFFFAOYSA-N
XLogP2.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide (CID 102109122) is N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide is O=C(CS(=O)(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide?
The InChIKey is FLKRQVUORBIRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c15-12-6-8-13(9-7-12)16-20(18,19)10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2.
What are the key properties of N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide?
N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide has a molecular weight of 293.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-oxo-2-phenylethanesulfonamide is sourced from PubChem (CID 102109122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).