2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide

C11H15ClN2O4S — CID 23645788

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O4S/c1-8(11(15)13-16)14(19(2,17)18)7-9-5-3-4-6-10(9)12/h3-6,8,16H,7H2,1-2H3,(H,13,15)
InChIKeyGIKOOWSLLXGCTM-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.00
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide (PubChem CID 23645788) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide
PubChem CID23645788
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O4S/c1-8(11(15)13-16)14(19(2,17)18)7-9-5-3-4-6-10(9)12/h3-6,8,16H,7H2,1-2H3,(H,13,15)
InChIKeyGIKOOWSLLXGCTM-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.00
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-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide (CID 23645788) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide?
The InChIKey is GIKOOWSLLXGCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-8(11(15)13-16)14(19(2,17)18)7-9-5-3-4-6-10(9)12/h3-6,8,16H,7H2,1-2H3,(H,13,15).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide has a molecular weight of 306.77 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).