2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

C12H19N3O4S — CID 10709434

IUPAC2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyVHYXHLISNBMNNB-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.42
Rot. Bonds6

About 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide

2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (PubChem CID 10709434) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
PubChem CID10709434
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyVHYXHLISNBMNNB-UHFFFAOYSA-N
XLogP0.42
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide (CID 10709434) is 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
The InChIKey is VHYXHLISNBMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide?
2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide has a molecular weight of 301.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 10709434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).