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

C18H14F2N2O4S2 — CID 1009717

IUPAC4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O4S2/c19-13-1-9-17(10-2-13)27(23,24)21-15-5-7-16(8-6-15)22-28(25,26)18-11-3-14(20)4-12-18/h1-12,21-22H
InChIKeyYKXHCUHLEQQJBE-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.57
Rot. Bonds6

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

4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 1009717) has the molecular formula C18H14F2N2O4S2 and a molecular weight of 424.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID1009717
Molecular FormulaC18H14F2N2O4S2
Molecular Weight424.45 g/mol
Exact Mass424.04
IUPAC Name4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O4S2/c19-13-1-9-17(10-2-13)27(23,24)21-15-5-7-16(8-6-15)22-28(25,26)18-11-3-14(20)4-12-18/h1-12,21-22H
InChIKeyYKXHCUHLEQQJBE-UHFFFAOYSA-N
XLogP3.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 1009717) is 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is YKXHCUHLEQQJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4S2/c19-13-1-9-17(10-2-13)27(23,24)21-15-5-7-16(8-6-15)22-28(25,26)18-11-3-14(20)4-12-18/h1-12,21-22H.
What are the key properties of 4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 3.57, 6 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]phenyl]benzenesulfonamide is sourced from PubChem (CID 1009717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).