N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide

C14H7ClF5NO3S — CID 170318843

IUPACN-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(-c2c(F)cc(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C14H7ClF5NO3S/c1-5(22)21-25(23,24)11-2-6(8(16)3-7(11)15)12-9(17)4-10(18)13(19)14(12)20/h2-4H,1H3,(H,21,22)
InChIKeyMPYRTIUIYMIATA-UHFFFAOYSA-N
MW399.72 g/mol
LogP3.53
Rot. Bonds3

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

N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide (PubChem CID 170318843) has the molecular formula C14H7ClF5NO3S and a molecular weight of 399.72 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide
PubChem CID170318843
Molecular FormulaC14H7ClF5NO3S
Molecular Weight399.72 g/mol
Exact Mass398.98
IUPAC NameN-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(-c2c(F)cc(F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C14H7ClF5NO3S/c1-5(22)21-25(23,24)11-2-6(8(16)3-7(11)15)12-9(17)4-10(18)13(19)14(12)20/h2-4H,1H3,(H,21,22)
InChIKeyMPYRTIUIYMIATA-UHFFFAOYSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.72
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide?
The IUPAC name of N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide (CID 170318843) is N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide?
The canonical SMILES for N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide is CC(=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]sulfonylacetamide?
The InChIKey is MPYRTIUIYMIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF5NO3S/c1-5(22)21-25(23,24)11-2-6(8(16)3-7(11)15)12-9(17)4-10(18)13(19)14(12)20/h2-4H,1H3,(H,21,22).
What are the key properties of N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide?
N-[2-chloro-4-fluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide has a molecular weight of 399.72 g/mol, XLogP of 3.53, 3 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-(2,3,4,6-tetrafluorophenyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 170318843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).