4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide

C16H18F2N2O4S2 — CID 2164906

IUPAC4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2O4S2/c17-13-3-7-15(8-4-13)25(21,22)19-11-1-2-12-20-26(23,24)16-9-5-14(18)6-10-16/h3-10,19-20H,1-2,11-12H2
InChIKeyYRJNEVRSPVDOER-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.00
Rot. Bonds9

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

4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide (PubChem CID 2164906) has the molecular formula C16H18F2N2O4S2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide
PubChem CID2164906
Molecular FormulaC16H18F2N2O4S2
Molecular Weight404.46 g/mol
Exact Mass404.07
IUPAC Name4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2O4S2/c17-13-3-7-15(8-4-13)25(21,22)19-11-1-2-12-20-26(23,24)16-9-5-14(18)6-10-16/h3-10,19-20H,1-2,11-12H2
InChIKeyYRJNEVRSPVDOER-UHFFFAOYSA-N
XLogP2.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.00
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-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide (CID 2164906) is 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide is O=S(=O)(NCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide?
The InChIKey is YRJNEVRSPVDOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4S2/c17-13-3-7-15(8-4-13)25(21,22)19-11-1-2-12-20-26(23,24)16-9-5-14(18)6-10-16/h3-10,19-20H,1-2,11-12H2.
What are the key properties of 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide?
4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide has a molecular weight of 404.46 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]benzenesulfonamide is sourced from PubChem (CID 2164906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).