N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide

C11H13F3N2O5S — CID 10593373

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O5S/c1-21-8-2-4-9(5-3-8)22(19,20)16(6-10(17)15-18)7-11(12,13)14/h2-5,18H,6-7H2,1H3,(H,15,17)
InChIKeyQPQUTTGIKCBKTK-UHFFFAOYSA-N
MW342.30 g/mol
LogP0.75
Rot. Bonds6

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 10593373) has the molecular formula C11H13F3N2O5S and a molecular weight of 342.30 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID10593373
Molecular FormulaC11H13F3N2O5S
Molecular Weight342.30 g/mol
Exact Mass342.05
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O5S/c1-21-8-2-4-9(5-3-8)22(19,20)16(6-10(17)15-18)7-11(12,13)14/h2-5,18H,6-7H2,1H3,(H,15,17)
InChIKeyQPQUTTGIKCBKTK-UHFFFAOYSA-N
XLogP0.75
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide (CID 10593373) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is QPQUTTGIKCBKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O5S/c1-21-8-2-4-9(5-3-8)22(19,20)16(6-10(17)15-18)7-11(12,13)14/h2-5,18H,6-7H2,1H3,(H,15,17).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 342.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 10593373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).