N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide

C23H25ClF5NO11S — CID 170318819

IUPACN-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide
SMILESCOCCOOCCOOCCOOCCOCC(=O)NS(=O)(=O)c1cc(-c2c(F)cc(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C23H25ClF5NO11S/c1-34-2-4-36-38-6-8-40-41-9-7-39-37-5-3-35-13-20(31)30-42(32,33)19-10-14(16(25)11-15(19)24)21-17(26)12-18(27)22(28)23(21)29/h10-12H,2-9,13H2,1H3,(H,30,31)
InChIKeyGQSUFLXJVKDIRB-UHFFFAOYSA-N
MW653.96 g/mol
LogP3.02
Rot. Bonds20

About N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide

N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide (PubChem CID 170318819) has the molecular formula C23H25ClF5NO11S and a molecular weight of 653.96 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide
PubChem CID170318819
Molecular FormulaC23H25ClF5NO11S
Molecular Weight653.96 g/mol
Exact Mass653.08
IUPAC NameN-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide
SMILESCOCCOOCCOOCCOOCCOCC(=O)NS(=O)(=O)c1cc(-c2c(F)cc(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C23H25ClF5NO11S/c1-34-2-4-36-38-6-8-40-41-9-7-39-37-5-3-35-13-20(31)30-42(32,33)19-10-14(16(25)11-15(19)24)21-17(26)12-18(27)22(28)23(21)29/h10-12H,2-9,13H2,1H3,(H,30,31)
InChIKeyGQSUFLXJVKDIRB-UHFFFAOYSA-N
XLogP3.02
TPSA137.08 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.96
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170318804
N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide
CID 170318813
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-hydroxyacetamide
CID 170318816
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-methylpropanamide
CID 170318818
N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide
CID 170318820
N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylacetamide
CID 170318821
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylbutanamide
CID 170318831
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-methoxyacetamide
CID 170318837
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide
CID 170318843
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2,2-dimethylpropanamide
CID 170318851
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylpropanamide
CID 170318863
N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylacetamide
CID 170318865

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide?
The IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide (CID 170318819) is N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide?
The canonical SMILES for N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide is COCCOOCCOOCCOOCCOCC(=O)NS(=O)(=O)c1cc(-c2c(F)cc(F)c(F)c2F)c(F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide?
The InChIKey is GQSUFLXJVKDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF5NO11S/c1-34-2-4-36-38-6-8-40-41-9-7-39-37-5-3-35-13-20(31)30-42(32,33)19-10-14(16(25)11-15(19)24)21-17(26)12-18(27)22(28)23(21)29/h10-12H,2-9,13H2,1H3,(H,30,31).
What are the key properties of N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide?
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide has a molecular weight of 653.96 g/mol, XLogP of 3.02, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide is sourced from PubChem (CID 170318819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).