N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide

C11H12FNO2S — CID 90552726

IUPACN-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC#Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2S/c1-2-16(14,15)13-9-3-4-10-5-7-11(12)8-6-10/h5-8,13H,2,9H2,1H3
InChIKeyAACFPSANHRUJIM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.12
Rot. Bonds3

About N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide

N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide (PubChem CID 90552726) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide
PubChem CID90552726
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC NameN-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC#Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2S/c1-2-16(14,15)13-9-3-4-10-5-7-11(12)8-6-10/h5-8,13H,2,9H2,1H3
InChIKeyAACFPSANHRUJIM-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide (CID 90552726) is N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide is CCS(=O)(=O)NCC#Cc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide?
The InChIKey is AACFPSANHRUJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-2-16(14,15)13-9-3-4-10-5-7-11(12)8-6-10/h5-8,13H,2,9H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide?
N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide has a molecular weight of 241.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide is sourced from PubChem (CID 90552726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).