N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide

C18H22FNO3S — CID 110288272

IUPACN-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCCOc1ccc(F)cc1
InChIInChI=1S/C18H22FNO3S/c19-17-9-11-18(12-10-17)23-14-5-13-20-24(21,22)15-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,20H,4-5,8,13-15H2
InChIKeyQKOBNMQTTUQHRO-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.15
Rot. Bonds10

About N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide

N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110288272) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
PubChem CID110288272
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCCOc1ccc(F)cc1
InChIInChI=1S/C18H22FNO3S/c19-17-9-11-18(12-10-17)23-14-5-13-20-24(21,22)15-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,20H,4-5,8,13-15H2
InChIKeyQKOBNMQTTUQHRO-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.15
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

N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113103120
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
CID 110288266
4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
CID 110627344
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720119

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide (CID 110288272) is N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCCCOc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is QKOBNMQTTUQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c19-17-9-11-18(12-10-17)23-14-5-13-20-24(21,22)15-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,20H,4-5,8,13-15H2.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide?
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 351.44 g/mol, XLogP of 3.15, 10 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]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110288272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).