N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C13H17F3N2O4S — CID 22907211

IUPACN-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O4S/c1-9(2)7-18(8-12(19)17-20)23(21,22)11-5-3-4-10(6-11)13(14,15)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19)
InChIKeyKHEXVQGODGMHKH-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.86
Rot. Bonds6

About N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 22907211) has the molecular formula C13H17F3N2O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID22907211
Molecular FormulaC13H17F3N2O4S
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC NameN-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O4S/c1-9(2)7-18(8-12(19)17-20)23(21,22)11-5-3-4-10(6-11)13(14,15)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19)
InChIKeyKHEXVQGODGMHKH-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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Related Compounds

N'-(2-methylpropyl)-N'-[3-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 154503973
2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3463406
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4131943
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 79378419
N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5046108
N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 142683284
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4617118
[4-[[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4648139

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 22907211) is N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CC(C)CN(CC(=O)NO)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is KHEXVQGODGMHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O4S/c1-9(2)7-18(8-12(19)17-20)23(21,22)11-5-3-4-10(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-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-hydroxy-2-[2-methylpropyl-[3-(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-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 22907211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).