4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide

C17H21FN2O5S2 — CID 16884394

IUPAC4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O5S2/c18-15-4-6-16(7-5-15)25-12-1-13-26(21,22)20-11-10-14-2-8-17(9-3-14)27(19,23)24/h2-9,20H,1,10-13H2,(H2,19,23,24)
InChIKeyRHFVRUKOEMETSW-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.40
Rot. Bonds10

About 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide

4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide (PubChem CID 16884394) has the molecular formula C17H21FN2O5S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide
PubChem CID16884394
Molecular FormulaC17H21FN2O5S2
Molecular Weight416.50 g/mol
Exact Mass416.09
IUPAC Name4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O5S2/c18-15-4-6-16(7-5-15)25-12-1-13-26(21,22)20-11-10-14-2-8-17(9-3-14)27(19,23)24/h2-9,20H,1,10-13H2,(H2,19,23,24)
InChIKeyRHFVRUKOEMETSW-UHFFFAOYSA-N
XLogP1.40
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
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 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide (CID 16884394) is 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)CCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is RHFVRUKOEMETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5S2/c18-15-4-6-16(7-5-15)25-12-1-13-26(21,22)20-11-10-14-2-8-17(9-3-14)27(19,23)24/h2-9,20H,1,10-13H2,(H2,19,23,24).
What are the key properties of 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide?
4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluorophenoxy)propylsulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 16884394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).