N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide

C15H16FNO3S — CID 110288244

IUPACN-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c16-13-7-9-14(10-8-13)20-12-4-11-17-21(18,19)15-5-2-1-3-6-15/h1-3,5-10,17H,4,11-12H2
InChIKeyPLDSQTHDDSOGGF-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.57
Rot. Bonds7

About N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide

N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide (PubChem CID 110288244) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
PubChem CID110288244
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c16-13-7-9-14(10-8-13)20-12-4-11-17-21(18,19)15-5-2-1-3-6-15/h1-3,5-10,17H,4,11-12H2
InChIKeyPLDSQTHDDSOGGF-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
CID 113102513
6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide
CID 110307295
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
4-fluoro-N-(phenoxymethyl)benzenesulfonamide
CID 70133327
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
CID 110627344
7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
CID 4178016
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
CID 110288266
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide (CID 110288244) is N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide is O=S(=O)(NCCCOc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide?
The InChIKey is PLDSQTHDDSOGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-13-7-9-14(10-8-13)20-12-4-11-17-21(18,19)15-5-2-1-3-6-15/h1-3,5-10,17H,4,11-12H2.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide?
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 110288244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).