N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide

C15H8ClF6NO3S — CID 170318813

IUPACN-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C15H8ClF6NO3S/c1-2-9(24)23-27(25,26)8-3-5(7(17)4-6(8)16)10-11(18)13(20)15(22)14(21)12(10)19/h3-4H,2H2,1H3,(H,23,24)
InChIKeySSTOTSAOBZZADI-UHFFFAOYSA-N
MW431.74 g/mol
LogP4.06
Rot. Bonds4

About N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide

N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide (PubChem CID 170318813) has the molecular formula C15H8ClF6NO3S and a molecular weight of 431.74 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide
PubChem CID170318813
Molecular FormulaC15H8ClF6NO3S
Molecular Weight431.74 g/mol
Exact Mass430.98
IUPAC NameN-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C15H8ClF6NO3S/c1-2-9(24)23-27(25,26)8-3-5(7(17)4-6(8)16)10-11(18)13(20)15(22)14(21)12(10)19/h3-4H,2H2,1H3,(H,23,24)
InChIKeySSTOTSAOBZZADI-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 54.06
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'}

Analyze N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-[2-chloro-4-fluoro-5-(2,3,4,5-tetrafluorophenyl)phenyl]sulfonylpropanamide
CID 170318820

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide?
The IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide (CID 170318813) is N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide?
The InChIKey is SSTOTSAOBZZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6NO3S/c1-2-9(24)23-27(25,26)8-3-5(7(17)4-6(8)16)10-11(18)13(20)15(22)14(21)12(10)19/h3-4H,2H2,1H3,(H,23,24).
What are the key properties of N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide?
N-[2-chloro-4-fluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide has a molecular weight of 431.74 g/mol, XLogP of 4.06, 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-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 170318813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).