4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide

C21H15F5N2O4S — CID 155155872

IUPAC4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C21H15F5N2O4S/c22-15-4-2-1-3-14(15)11-28(10-12-5-7-13(8-6-12)21(29)27-30)33(31,32)17-9-16(23)18(24)20(26)19(17)25/h1-9,30H,10-11H2,(H,27,29)
InChIKeyBIVZRSWFCKSOHK-UHFFFAOYSA-N
MW486.42 g/mol
LogP3.89
Rot. Bonds7

About 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide

4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide (PubChem CID 155155872) has the molecular formula C21H15F5N2O4S and a molecular weight of 486.42 g/mol. Its IUPAC name is 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
PubChem CID155155872
Molecular FormulaC21H15F5N2O4S
Molecular Weight486.42 g/mol
Exact Mass486.07
IUPAC Name4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C21H15F5N2O4S/c22-15-4-2-1-3-14(15)11-28(10-12-5-7-13(8-6-12)21(29)27-30)33(31,32)17-9-16(23)18(24)20(26)19(17)25/h1-9,30H,10-11H2,(H,27,29)
InChIKeyBIVZRSWFCKSOHK-UHFFFAOYSA-N
XLogP3.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 53.89
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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Related Compounds

N-hydroxy-4-[[pyridin-3-ylmethyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155144635
N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155155859
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
N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 165017928
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
CID 170564867
N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 2695392
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidobenzamide
CID 20967378

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide (CID 155155872) is 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
The InChIKey is BIVZRSWFCKSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2O4S/c22-15-4-2-1-3-14(15)11-28(10-12-5-7-13(8-6-12)21(29)27-30)33(31,32)17-9-16(23)18(24)20(26)19(17)25/h1-9,30H,10-11H2,(H,27,29).
What are the key properties of 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide?
4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide has a molecular weight of 486.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).