3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C15H23FN2O4S — CID 6473317

IUPAC3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F
InChIInChI=1S/C15H23FN2O4S/c1-2-22-15-12-13(4-5-14(15)16)23(19,20)17-6-3-7-18-8-10-21-11-9-18/h4-5,12,17H,2-3,6-11H2,1H3
InChIKeyHGMIYBAZNFHVQE-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.23
Rot. Bonds8

About 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 6473317) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID6473317
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F
InChIInChI=1S/C15H23FN2O4S/c1-2-22-15-12-13(4-5-14(15)16)23(19,20)17-6-3-7-18-8-10-21-11-9-18/h4-5,12,17H,2-3,6-11H2,1H3
InChIKeyHGMIYBAZNFHVQE-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 6473317) is 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is HGMIYBAZNFHVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-2-22-15-12-13(4-5-14(15)16)23(19,20)17-6-3-7-18-8-10-21-11-9-18/h4-5,12,17H,2-3,6-11H2,1H3.
What are the key properties of 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 6473317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).