2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide

C19H23ClN2O4S — CID 23645808

IUPAC2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)c(C)c1
InChIInChI=1S/C19H23ClN2O4S/c1-12-9-13(2)18(14(3)10-12)27(25,26)22(15(4)19(23)21-24)11-16-7-5-6-8-17(16)20/h5-10,15,24H,11H2,1-4H3,(H,21,23)
InChIKeyKQONMEPNQFXREP-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.35
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645808) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23645808
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)c(C)c1
InChIInChI=1S/C19H23ClN2O4S/c1-12-9-13(2)18(14(3)10-12)27(25,26)22(15(4)19(23)21-24)11-16-7-5-6-8-17(16)20/h5-10,15,24H,11H2,1-4H3,(H,21,23)
InChIKeyKQONMEPNQFXREP-UHFFFAOYSA-N
XLogP3.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.35
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-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 23645808) is 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide is Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2Cl)C(C)C(=O)NO)c(C)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is KQONMEPNQFXREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-12-9-13(2)18(14(3)10-12)27(25,26)22(15(4)19(23)21-24)11-16-7-5-6-8-17(16)20/h5-10,15,24H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 410.92 g/mol, XLogP of 3.35, 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-(2,4,6-trimethylphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).