4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide

C15H12F4N2O2S — CID 118716964

IUPAC4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
InChIKeyKAZYEEVJLLUSRB-ODCIPOBUSA-N
MW360.33 g/mol
LogP2.55
Rot. Bonds5

About 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 118716964) has the molecular formula C15H12F4N2O2S and a molecular weight of 360.33 g/mol. Its IUPAC name is 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID118716964
Molecular FormulaC15H12F4N2O2S
Molecular Weight360.33 g/mol
Exact Mass360.06
IUPAC Name4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+
InChIKeyKAZYEEVJLLUSRB-ODCIPOBUSA-N
XLogP2.55
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide (CID 118716964) is 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is KAZYEEVJLLUSRB-ODCIPOBUSA-N. The full InChI is InChI=1S/C15H12F4N2O2S/c16-12-7-13(17)15(19)11(14(12)18)8-21-6-5-9-1-3-10(4-2-9)24(20,22)23/h1-4,7-8H,5-6H2,(H2,20,22,23)/b21-8+.
What are the key properties of 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 360.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,3,5,6-tetrafluorophenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118716964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).