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

C17H16F4N2O4S — CID 155699554

IUPACN-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
SMILESCC(C)N(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)
InChIKeySJWJGLIJTRUXIZ-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.96
Rot. Bonds6

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

N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide (PubChem CID 155699554) has the molecular formula C17H16F4N2O4S and a molecular weight of 420.38 g/mol. Its IUPAC name is N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
PubChem CID155699554
Molecular FormulaC17H16F4N2O4S
Molecular Weight420.38 g/mol
Exact Mass420.08
IUPAC NameN-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
SMILESCC(C)N(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)
InChIKeySJWJGLIJTRUXIZ-UHFFFAOYSA-N
XLogP2.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.96
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'}

Analyze N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide with MolForge

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
Hydroxamate 17
CID 23645529
Hydroxamate 23
CID 23645530
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242
Hydroxamate 29
CID 10766622
4-{3-[(Phenylsulfonyl)amino]prop-1-Yn-1-Yl}-N-(3,3,3-Trifluoropropyl)benzamide
CID 73505242

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide (CID 155699554) is N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide is CC(C)N(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is SJWJGLIJTRUXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24).
What are the key properties of N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide?
N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 420.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 155699554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).