3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide

C18H22FNO3S — CID 16884360

IUPAC3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H22FNO3S/c19-17-9-11-18(12-10-17)23-14-5-15-24(21,22)20-13-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,20H,4-5,8,13-15H2
InChIKeyKMROWILEBGHBIZ-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.15
Rot. Bonds10

About 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide

3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide (PubChem CID 16884360) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide
PubChem CID16884360
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC Name3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCCCc1ccccc1
InChIInChI=1S/C18H22FNO3S/c19-17-9-11-18(12-10-17)23-14-5-15-24(21,22)20-13-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,20H,4-5,8,13-15H2
InChIKeyKMROWILEBGHBIZ-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide (CID 16884360) is 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide is O=S(=O)(CCCOc1ccc(F)cc1)NCCCc1ccccc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide?
The InChIKey is KMROWILEBGHBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c19-17-9-11-18(12-10-17)23-14-5-15-24(21,22)20-13-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,20H,4-5,8,13-15H2.
What are the key properties of 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide?
3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-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 3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 16884360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).