N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide

C14H9F5N2O5S2 — CID 10789418

IUPACN-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H9F5N2O5S2/c1-6(22)20-27(23,24)8-4-2-7(3-5-8)21-28(25,26)14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21H,1H3,(H,20,22)
InChIKeyRNILEBAEQNIDBX-UHFFFAOYSA-N
MW444.36 g/mol
LogP2.01
Rot. Bonds5

About N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide

N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide (PubChem CID 10789418) has the molecular formula C14H9F5N2O5S2 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide
PubChem CID10789418
Molecular FormulaC14H9F5N2O5S2
Molecular Weight444.36 g/mol
Exact Mass443.99
IUPAC NameN-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H9F5N2O5S2/c1-6(22)20-27(23,24)8-4-2-7(3-5-8)21-28(25,26)14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21H,1H3,(H,20,22)
InChIKeyRNILEBAEQNIDBX-UHFFFAOYSA-N
XLogP2.01
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide (CID 10789418) is N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide?
The InChIKey is RNILEBAEQNIDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2O5S2/c1-6(22)20-27(23,24)8-4-2-7(3-5-8)21-28(25,26)14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21H,1H3,(H,20,22).
What are the key properties of N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide?
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide has a molecular weight of 444.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 10789418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).