N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide

C15H9ClF5NO3S — CID 170318820

IUPACN-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1cc(-c2cc(F)c(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C15H9ClF5NO3S/c1-2-12(23)22-26(24,25)11-4-6(9(17)5-8(11)16)7-3-10(18)14(20)15(21)13(7)19/h3-5H,2H2,1H3,(H,22,23)
InChIKeyPLUVQRLQASVBLE-UHFFFAOYSA-N
MW413.75 g/mol
LogP3.92
Rot. Bonds4

About N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide

N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide (PubChem CID 170318820) has the molecular formula C15H9ClF5NO3S and a molecular weight of 413.75 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide
PubChem CID170318820
Molecular FormulaC15H9ClF5NO3S
Molecular Weight413.75 g/mol
Exact Mass412.99
IUPAC NameN-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1cc(-c2cc(F)c(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C15H9ClF5NO3S/c1-2-12(23)22-26(24,25)11-4-6(9(17)5-8(11)16)7-3-10(18)14(20)15(21)13(7)19/h3-5H,2H2,1H3,(H,22,23)
InChIKeyPLUVQRLQASVBLE-UHFFFAOYSA-N
XLogP3.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.75
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)sulfonyl-5-(3,5-difluorophenyl)-2-ethylcyclohexa-1,5-diene-1-carboxamide
CID 146335155
N-[2,4-difluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylpropanamide
CID 169794209
2-Chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)benzenesulfonamide
CID 169794643
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-methylprop-2-enamide
CID 169796078
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-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylcyclohexanecarboxamide
CID 170318807
N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide
CID 170318813
3-[2-Chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonyl-1,1-dimethylurea
CID 170318814
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]sulfonylthiane-4-carboxamide
CID 170318817
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-methylpropanamide
CID 170318818
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonyl-2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]acetamide
CID 170318819

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide?
The IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide (CID 170318820) is N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1cc(-c2cc(F)c(F)c(F)c2F)c(F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide?
The InChIKey is PLUVQRLQASVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF5NO3S/c1-2-12(23)22-26(24,25)11-4-6(9(17)5-8(11)16)7-3-10(18)14(20)15(21)13(7)19/h3-5H,2H2,1H3,(H,22,23).
What are the key properties of N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide?
N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide has a molecular weight of 413.75 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 170318820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).