2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide

C12H19N3O4S — CID 141159834

IUPAC2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
SMILESCCCCN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O4S/c1-2-3-8-15(9-12(16)14-17)20(18,19)11-6-4-10(13)5-7-11/h4-7,17H,2-3,8-9,13H2,1H3,(H,14,16)
InChIKeyOWYDYDVSHBSSPB-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.56
Rot. Bonds7

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

2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide (PubChem CID 141159834) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
PubChem CID141159834
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
SMILESCCCCN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O4S/c1-2-3-8-15(9-12(16)14-17)20(18,19)11-6-4-10(13)5-7-11/h4-7,17H,2-3,8-9,13H2,1H3,(H,14,16)
InChIKeyOWYDYDVSHBSSPB-UHFFFAOYSA-N
XLogP0.56
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.56
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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Related Compounds

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-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
CID 143926016
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
methyl 4-[(2-amino-2-oxoethyl)-butylsulfamoyl]benzoate
CID 55702922
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide (CID 141159834) is 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide is CCCCN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide?
The InChIKey is OWYDYDVSHBSSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-3-8-15(9-12(16)14-17)20(18,19)11-6-4-10(13)5-7-11/h4-7,17H,2-3,8-9,13H2,1H3,(H,14,16).
What are the key properties of 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide?
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide has a molecular weight of 301.37 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide is sourced from PubChem (CID 141159834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).