N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide

C13H13N3O6S2 — CID 10761730

IUPACN-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1)NO
InChIInChI=1S/C13H13N3O6S2/c17-12(14-18)9-15(24(21,22)13-2-1-7-23-13)8-10-3-5-11(6-4-10)16(19)20/h1-7,18H,8-9H2,(H,14,17)
InChIKeyJMWYGNIQHYKDCH-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.35
Rot. Bonds7

About N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide

N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide (PubChem CID 10761730) has the molecular formula C13H13N3O6S2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide
PubChem CID10761730
Molecular FormulaC13H13N3O6S2
Molecular Weight371.40 g/mol
Exact Mass371.02
IUPAC NameN-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1)NO
InChIInChI=1S/C13H13N3O6S2/c17-12(14-18)9-15(24(21,22)13-2-1-7-23-13)8-10-3-5-11(6-4-10)16(19)20/h1-7,18H,8-9H2,(H,14,17)
InChIKeyJMWYGNIQHYKDCH-UHFFFAOYSA-N
XLogP1.35
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide (CID 10761730) is N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1)NO.
What is the InChIKey of N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide?
The InChIKey is JMWYGNIQHYKDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O6S2/c17-12(14-18)9-15(24(21,22)13-2-1-7-23-13)8-10-3-5-11(6-4-10)16(19)20/h1-7,18H,8-9H2,(H,14,17).
What are the key properties of N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide?
N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide has a molecular weight of 371.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetamide is sourced from PubChem (CID 10761730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).