N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C14H19F3N2O5S — CID 142683284

IUPACN-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCCCCCN(CC(=O)NO)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O5S/c1-2-3-4-8-19(10-13(20)18-21)25(22,23)12-7-5-6-11(9-12)24-14(15,16)17/h5-7,9,21H,2-4,8,10H2,1H3,(H,18,20)
InChIKeyMCYIOWVHOQKGSW-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.27
Rot. Bonds9

About N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 142683284) has the molecular formula C14H19F3N2O5S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID142683284
Molecular FormulaC14H19F3N2O5S
Molecular Weight384.38 g/mol
Exact Mass384.10
IUPAC NameN-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCCCCCN(CC(=O)NO)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O5S/c1-2-3-4-8-19(10-13(20)18-21)25(22,23)12-7-5-6-11(9-12)24-14(15,16)17/h5-7,9,21H,2-4,8,10H2,1H3,(H,18,20)
InChIKeyMCYIOWVHOQKGSW-UHFFFAOYSA-N
XLogP2.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
CID 143926016
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
N-hydroxy-2-[pentyl-(4-phenyldiazenylphenyl)sulfonylamino]acetamide
CID 142683259
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 22907211
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 52620638
2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 61060306

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 142683284) is N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is CCCCCN(CC(=O)NO)S(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is MCYIOWVHOQKGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O5S/c1-2-3-4-8-19(10-13(20)18-21)25(22,23)12-7-5-6-11(9-12)24-14(15,16)17/h5-7,9,21H,2-4,8,10H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 384.38 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 142683284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).