2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide

C16H15Cl3N2O4S — CID 23645807

IUPAC2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl3N2O4S/c1-10(16(22)20-23)21(9-11-4-2-3-5-13(11)18)26(24,25)15-8-12(17)6-7-14(15)19/h2-8,10,23H,9H2,1H3,(H,20,22)
InChIKeyLSHSRVSAQRPOMQ-UHFFFAOYSA-N
MW437.73 g/mol
LogP3.73
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645807) has the molecular formula C16H15Cl3N2O4S and a molecular weight of 437.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23645807
Molecular FormulaC16H15Cl3N2O4S
Molecular Weight437.73 g/mol
Exact Mass435.98
IUPAC Name2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl3N2O4S/c1-10(16(22)20-23)21(9-11-4-2-3-5-13(11)18)26(24,25)15-8-12(17)6-7-14(15)19/h2-8,10,23H,9H2,1H3,(H,20,22)
InChIKeyLSHSRVSAQRPOMQ-UHFFFAOYSA-N
XLogP3.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 53.73
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-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide (CID 23645807) is 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is LSHSRVSAQRPOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O4S/c1-10(16(22)20-23)21(9-11-4-2-3-5-13(11)18)26(24,25)15-8-12(17)6-7-14(15)19/h2-8,10,23H,9H2,1H3,(H,20,22).
What are the key properties of 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 437.73 g/mol, XLogP of 3.73, 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-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).