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

C11H12ClF3N2O4S — CID 23645789

IUPAC2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O4S/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)
InChIKeyDMOSKQSAXOUGKB-UHFFFAOYSA-N
MW360.74 g/mol
LogP1.89
Rot. Bonds5

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

2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide (PubChem CID 23645789) has the molecular formula C11H12ClF3N2O4S and a molecular weight of 360.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide
PubChem CID23645789
Molecular FormulaC11H12ClF3N2O4S
Molecular Weight360.74 g/mol
Exact Mass360.02
IUPAC Name2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O4S/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)
InChIKeyDMOSKQSAXOUGKB-UHFFFAOYSA-N
XLogP1.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 51.89
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-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide (CID 23645789) is 2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide?
The InChIKey is DMOSKQSAXOUGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O4S/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-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide has a molecular weight of 360.74 g/mol, XLogP of 1.89, 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-(trifluoromethylsulfonyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).