N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide

C18H18F4N2O4S — CID 155155612

IUPACN-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide
SMILESCC(C)N(Cc1ccc(CC(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C18H18F4N2O4S/c1-10(2)24(9-12-5-3-11(4-6-12)7-15(25)23-26)29(27,28)14-8-13(19)16(20)18(22)17(14)21/h3-6,8,10,26H,7,9H2,1-2H3,(H,23,25)
InChIKeyCECUOKFKAABNGR-UHFFFAOYSA-N
MW434.41 g/mol
LogP2.89
Rot. Bonds7

About N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide

N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide (PubChem CID 155155612) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide
PubChem CID155155612
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC NameN-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide
SMILESCC(C)N(Cc1ccc(CC(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C18H18F4N2O4S/c1-10(2)24(9-12-5-3-11(4-6-12)7-15(25)23-26)29(27,28)14-8-13(19)16(20)18(22)17(14)21/h3-6,8,10,26H,7,9H2,1-2H3,(H,23,25)
InChIKeyCECUOKFKAABNGR-UHFFFAOYSA-N
XLogP2.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide (CID 155155612) is N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide is CC(C)N(Cc1ccc(CC(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide?
The InChIKey is CECUOKFKAABNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-10(2)24(9-12-5-3-11(4-6-12)7-15(25)23-26)29(27,28)14-8-13(19)16(20)18(22)17(14)21/h3-6,8,10,26H,7,9H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide?
N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide has a molecular weight of 434.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 155155612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).