4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide

C17H20F2N2O4S2 — CID 658488

IUPAC4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N2O4S2/c18-14-4-8-16(9-5-14)26(22,23)20-12-2-1-3-13-21-27(24,25)17-10-6-15(19)7-11-17/h4-11,20-21H,1-3,12-13H2
InChIKeyOAEFRSRJRSEAPL-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.39
Rot. Bonds10

About 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide

4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide (PubChem CID 658488) has the molecular formula C17H20F2N2O4S2 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide
PubChem CID658488
Molecular FormulaC17H20F2N2O4S2
Molecular Weight418.49 g/mol
Exact Mass418.08
IUPAC Name4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N2O4S2/c18-14-4-8-16(9-5-14)26(22,23)20-12-2-1-3-13-21-27(24,25)17-10-6-15(19)7-11-17/h4-11,20-21H,1-3,12-13H2
InChIKeyOAEFRSRJRSEAPL-UHFFFAOYSA-N
XLogP2.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
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 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide (CID 658488) is 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide is O=S(=O)(NCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide?
The InChIKey is OAEFRSRJRSEAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O4S2/c18-14-4-8-16(9-5-14)26(22,23)20-12-2-1-3-13-21-27(24,25)17-10-6-15(19)7-11-17/h4-11,20-21H,1-3,12-13H2.
What are the key properties of 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide?
4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide has a molecular weight of 418.49 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[(4-fluorophenyl)sulfonylamino]pentyl]benzenesulfonamide is sourced from PubChem (CID 658488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).