2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide

C16H12ClF5N2O4S — CID 10027203

IUPAC2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25)
InChIKeyVDDKIBQLKXMKIW-UHFFFAOYSA-N
MW458.79 g/mol
LogP3.12
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 10027203) has the molecular formula C16H12ClF5N2O4S and a molecular weight of 458.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID10027203
Molecular FormulaC16H12ClF5N2O4S
Molecular Weight458.79 g/mol
Exact Mass458.01
IUPAC Name2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25)
InChIKeyVDDKIBQLKXMKIW-UHFFFAOYSA-N
XLogP3.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide (CID 10027203) is 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is VDDKIBQLKXMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25).
What are the key properties of 2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 458.79 g/mol, XLogP of 3.12, 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-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 10027203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).