N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C13H17F3N2O4S — CID 10808023

IUPACN-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-9(2)7-18(8-12(19)17-20)23(21,22)11-5-3-10(4-6-11)13(14,15)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19)
InChIKeySWNJNQBYQIREKX-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.86
Rot. Bonds6

About N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 10808023) has the molecular formula C13H17F3N2O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID10808023
Molecular FormulaC13H17F3N2O4S
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC NameN-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-9(2)7-18(8-12(19)17-20)23(21,22)11-5-3-10(4-6-11)13(14,15)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19)
InChIKeySWNJNQBYQIREKX-UHFFFAOYSA-N
XLogP1.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 10808023) is N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is SWNJNQBYQIREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O4S/c1-9(2)7-18(8-12(19)17-20)23(21,22)11-5-3-10(4-6-11)13(14,15)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 354.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 10808023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).