N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide

C11H14FNO3S — CID 75482737

IUPACN-[3-(2-fluorophenyl)sulfonylpropyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)C1=CC=CC=C1F
InChIInChI=1S/C11H14FNO3S/c1-9(14)13-7-4-8-17(15,16)11-6-3-2-5-10(11)12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyRFGDUQDNXBDPMO-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.90
Rot. Bonds5

About N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide

N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide (PubChem CID 75482737) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)sulfonylpropyl]acetamide
PubChem CID75482737
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC NameN-[3-(2-fluorophenyl)sulfonylpropyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)C1=CC=CC=C1F
InChIInChI=1S/C11H14FNO3S/c1-9(14)13-7-4-8-17(15,16)11-6-3-2-5-10(11)12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyRFGDUQDNXBDPMO-UHFFFAOYSA-N
XLogP0.90
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity350

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.90
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 N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide?
The IUPAC name of N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide (CID 75482737) is N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide?
The canonical SMILES for N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide is CC(=O)NCCCS(=O)(=O)C1=CC=CC=C1F.
What is the InChIKey of N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide?
The InChIKey is RFGDUQDNXBDPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-9(14)13-7-4-8-17(15,16)11-6-3-2-5-10(11)12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide?
N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide has a molecular weight of 259.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)sulfonylpropyl]acetamide is sourced from PubChem (CID 75482737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).