N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide

C18H18F4N2O4S — CID 155155859

IUPACN-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
SMILESCC(C)CN(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C18H18F4N2O4S/c1-10(2)8-24(9-11-3-5-12(6-4-11)18(25)23-26)29(27,28)14-7-13(19)15(20)17(22)16(14)21/h3-7,10,26H,8-9H2,1-2H3,(H,23,25)
InChIKeyORRALXXDFMZZIR-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.21
Rot. Bonds7

About N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide

N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide (PubChem CID 155155859) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
PubChem CID155155859
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC NameN-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
SMILESCC(C)CN(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C18H18F4N2O4S/c1-10(2)8-24(9-11-3-5-12(6-4-11)18(25)23-26)29(27,28)14-7-13(19)15(20)17(22)16(14)21/h3-7,10,26H,8-9H2,1-2H3,(H,23,25)
InChIKeyORRALXXDFMZZIR-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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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Related Compounds

4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
CID 155155872
N-hydroxy-4-[[pyridin-3-ylmethyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155144635
2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]-N-[[4-[(E)-3-oxobut-1-enyl]phenyl]methyl]benzenesulfonamide
CID 165042854
N-[[4-(dimethylamino)phenyl]methyl]-2,3,4,5-tetrafluoro-N-[[4-[(E)-3-oxobut-1-enyl]phenyl]methyl]benzenesulfonamide
CID 165042857
4-[(4-tert-butylphenyl)methyl-[2-[methylsulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]amino]-N-hydroxybenzamide
CID 155512997
4-[4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl]benzoic acid
CID 157022700
3-[4-[[cyclopentyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxypropanamide
CID 167087740
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
N-[(4-acetylphenyl)methyl]-N-benzyl-2,3,4,5-tetrafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,5,6-tetrafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-methylbenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-propan-2-ylbenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-propan-2-ylbenzenesulfonamide
CID 164976968
4-[[(3-fluoro-4-methylphenyl)methyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]methyl]-N-hydroxybenzamide
CID 155155767
2,3,4,5-tetrafluoro-N-[[2-fluoro-4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 155155849
2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79178570

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide (CID 155155859) is N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide is CC(C)CN(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is ORRALXXDFMZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-10(2)8-24(9-11-3-5-12(6-4-11)18(25)23-26)29(27,28)14-7-13(19)15(20)17(22)16(14)21/h3-7,10,26H,8-9H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 434.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 155155859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).