2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide

C11H12Cl4N2O4S — CID 23645790

IUPAC2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl4N2O4S/c1-7(10(18)16-19)17(22(20,21)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,7,19H,6H2,1H3,(H,16,18)
InChIKeyNHLAYSQOUZICRA-UHFFFAOYSA-N
MW410.11 g/mol
LogP2.69
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide (PubChem CID 23645790) has the molecular formula C11H12Cl4N2O4S and a molecular weight of 410.11 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide
PubChem CID23645790
Molecular FormulaC11H12Cl4N2O4S
Molecular Weight410.11 g/mol
Exact Mass407.93
IUPAC Name2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl4N2O4S/c1-7(10(18)16-19)17(22(20,21)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,7,19H,6H2,1H3,(H,16,18)
InChIKeyNHLAYSQOUZICRA-UHFFFAOYSA-N
XLogP2.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide (CID 23645790) is 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide?
The InChIKey is NHLAYSQOUZICRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl4N2O4S/c1-7(10(18)16-19)17(22(20,21)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,7,19H,6H2,1H3,(H,16,18).
What are the key properties of 2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide has a molecular weight of 410.11 g/mol, XLogP of 2.69, 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-(trichloromethylsulfonyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).