2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide

C17H16ClF3N2O4S — CID 10455715

IUPAC2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O4S/c1-11(16(24)22-25)23(10-12-5-2-3-8-15(12)18)28(26,27)14-7-4-6-13(9-14)17(19,20)21/h2-9,11,25H,10H2,1H3,(H,22,24)
InChIKeyLIEXKGDUVKULCK-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.44
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide (PubChem CID 10455715) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide
PubChem CID10455715
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC Name2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O4S/c1-11(16(24)22-25)23(10-12-5-2-3-8-15(12)18)28(26,27)14-7-4-6-13(9-14)17(19,20)21/h2-9,11,25H,10H2,1H3,(H,22,24)
InChIKeyLIEXKGDUVKULCK-UHFFFAOYSA-N
XLogP3.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 53.44
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-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide (CID 10455715) is 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide?
The InChIKey is LIEXKGDUVKULCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-11(16(24)22-25)23(10-12-5-2-3-8-15(12)18)28(26,27)14-7-4-6-13(9-14)17(19,20)21/h2-9,11,25H,10H2,1H3,(H,22,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide has a molecular weight of 436.84 g/mol, XLogP of 3.44, 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-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 10455715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).