3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide

C16H16FNO4S — CID 2438813

IUPAC3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C16H16FNO4S/c1-12(19)13-5-4-6-14(11-13)23(20,21)18-9-10-22-16-8-3-2-7-15(16)17/h2-8,11,18H,9-10H2,1H3
InChIKeyYRTBCKKSKSNZTN-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.39
Rot. Bonds7

About 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide

3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide (PubChem CID 2438813) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
PubChem CID2438813
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C16H16FNO4S/c1-12(19)13-5-4-6-14(11-13)23(20,21)18-9-10-22-16-8-3-2-7-15(16)17/h2-8,11,18H,9-10H2,1H3
InChIKeyYRTBCKKSKSNZTN-UHFFFAOYSA-N
XLogP2.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide (CID 2438813) is 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2F)c1.
What is the InChIKey of 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The InChIKey is YRTBCKKSKSNZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-12(19)13-5-4-6-14(11-13)23(20,21)18-9-10-22-16-8-3-2-7-15(16)17/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 2438813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).