2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide

C16H16ClFN2O4S — CID 23645795

IUPAC2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)17)25(23,24)14-8-6-13(18)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21)
InChIKeyJMNMTGAPNKHBDJ-UHFFFAOYSA-N
MW386.83 g/mol
LogP2.56
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645795) has the molecular formula C16H16ClFN2O4S and a molecular weight of 386.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23645795
Molecular FormulaC16H16ClFN2O4S
Molecular Weight386.83 g/mol
Exact Mass386.05
IUPAC Name2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)17)25(23,24)14-8-6-13(18)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21)
InChIKeyJMNMTGAPNKHBDJ-UHFFFAOYSA-N
XLogP2.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 52.56
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'}

Analyze 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-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-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide (CID 23645795) is 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is JMNMTGAPNKHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S/c1-11(16(21)19-22)20(10-12-4-2-3-5-15(12)17)25(23,24)14-8-6-13(18)7-9-14/h2-9,11,22H,10H2,1H3,(H,19,21).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 386.83 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).