2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide

C12H18N2O4S — CID 10613211

IUPAC2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-10(2)8-14(9-12(15)13-16)19(17,18)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,13,15)
InChIKeySVXJLDLOAQUWHI-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.84
Rot. Bonds6

About 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide

2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide (PubChem CID 10613211) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide
PubChem CID10613211
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide
SMILESCC(C)CN(CC(=O)NO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-10(2)8-14(9-12(15)13-16)19(17,18)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,13,15)
InChIKeySVXJLDLOAQUWHI-UHFFFAOYSA-N
XLogP0.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide (CID 10613211) is 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide is CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide?
The InChIKey is SVXJLDLOAQUWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-10(2)8-14(9-12(15)13-16)19(17,18)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,13,15).
What are the key properties of 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide?
2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide has a molecular weight of 286.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-methylpropyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 10613211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).