2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide

C17H21FN2O2S — CID 18691622

IUPAC2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide
SMILESCCCNCCc1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H21FN2O2S/c1-2-11-19-12-10-14-6-5-7-15(13-14)20-23(21,22)17-9-4-3-8-16(17)18/h3-9,13,19-20H,2,10-12H2,1H3
InChIKeyXUAUSHRTHCVYEJ-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.17
Rot. Bonds8

About 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide

2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide (PubChem CID 18691622) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide
PubChem CID18691622
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide
SMILESCCCNCCc1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H21FN2O2S/c1-2-11-19-12-10-14-6-5-7-15(13-14)20-23(21,22)17-9-4-3-8-16(17)18/h3-9,13,19-20H,2,10-12H2,1H3
InChIKeyXUAUSHRTHCVYEJ-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide 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 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide (CID 18691622) is 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide is CCCNCCc1cccc(NS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide?
The InChIKey is XUAUSHRTHCVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-2-11-19-12-10-14-6-5-7-15(13-14)20-23(21,22)17-9-4-3-8-16(17)18/h3-9,13,19-20H,2,10-12H2,1H3.
What are the key properties of 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide?
2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide has a molecular weight of 336.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-(propylamino)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18691622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).