2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide

C9H8BrF3N2O5S — CID 71652220

IUPAC2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)NO
InChIInChI=1S/C9H8BrF3N2O5S/c10-5-1-2-7(6(3-5)20-9(11,12)13)21(18,19)14-4-8(16)15-17/h1-3,14,17H,4H2,(H,15,16)
InChIKeyJDELDPAEJNOTJY-UHFFFAOYSA-N
MW393.14 g/mol
LogP1.13
Rot. Bonds5

About 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide

2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide (PubChem CID 71652220) has the molecular formula C9H8BrF3N2O5S and a molecular weight of 393.14 g/mol. Its IUPAC name is 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide
PubChem CID71652220
Molecular FormulaC9H8BrF3N2O5S
Molecular Weight393.14 g/mol
Exact Mass391.93
IUPAC Name2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)NO
InChIInChI=1S/C9H8BrF3N2O5S/c10-5-1-2-7(6(3-5)20-9(11,12)13)21(18,19)14-4-8(16)15-17/h1-3,14,17H,4H2,(H,15,16)
InChIKeyJDELDPAEJNOTJY-UHFFFAOYSA-N
XLogP1.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.14
LogP ≤ 51.13
H-Bond Donors ≤ 53
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 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide (CID 71652220) is 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)NO.
What is the InChIKey of 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide?
The InChIKey is JDELDPAEJNOTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O5S/c10-5-1-2-7(6(3-5)20-9(11,12)13)21(18,19)14-4-8(16)15-17/h1-3,14,17H,4H2,(H,15,16).
What are the key properties of 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide?
2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide has a molecular weight of 393.14 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 71652220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).