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

C17H19ClN2O4S — CID 23645799

IUPAC2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-7-9-15(10-8-12)25(23,24)20(13(2)17(21)19-22)11-14-5-3-4-6-16(14)18/h3-10,13,22H,11H2,1-2H3,(H,19,21)
InChIKeyCEAPHMVOMZPWQA-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.73
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645799) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23645799
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-7-9-15(10-8-12)25(23,24)20(13(2)17(21)19-22)11-14-5-3-4-6-16(14)18/h3-10,13,22H,11H2,1-2H3,(H,19,21)
InChIKeyCEAPHMVOMZPWQA-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.73
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-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 23645799) is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is CEAPHMVOMZPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-7-9-15(10-8-12)25(23,24)20(13(2)17(21)19-22)11-14-5-3-4-6-16(14)18/h3-10,13,22H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 382.87 g/mol, XLogP of 2.73, 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-(4-methylphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).