3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide

C14H20FNO4S — CID 16884341

IUPAC3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C14H20FNO4S/c15-12-4-6-13(7-5-12)19-9-2-10-21(17,18)16-11-14-3-1-8-20-14/h4-7,14,16H,1-3,8-11H2
InChIKeyWYCGWXUZNLGHSR-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.69
Rot. Bonds8

About 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide

3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide (PubChem CID 16884341) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
PubChem CID16884341
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C14H20FNO4S/c15-12-4-6-13(7-5-12)19-9-2-10-21(17,18)16-11-14-3-1-8-20-14/h4-7,14,16H,1-3,8-11H2
InChIKeyWYCGWXUZNLGHSR-UHFFFAOYSA-N
XLogP1.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(oxolan-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide (CID 16884341) is 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCOc1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is WYCGWXUZNLGHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c15-12-4-6-13(7-5-12)19-9-2-10-21(17,18)16-11-14-3-1-8-20-14/h4-7,14,16H,1-3,8-11H2.
What are the key properties of 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide?
3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 317.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 16884341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).