2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide

C19H18ClN3O4S — CID 10454788

IUPAC2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H18ClN3O4S/c1-13(19(24)22-25)23(12-15-6-2-3-9-16(15)20)28(26,27)17-10-4-7-14-8-5-11-21-18(14)17/h2-11,13,25H,12H2,1H3,(H,22,24)
InChIKeyWRKFZDDQCGTQAG-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.97
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide (PubChem CID 10454788) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide
PubChem CID10454788
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H18ClN3O4S/c1-13(19(24)22-25)23(12-15-6-2-3-9-16(15)20)28(26,27)17-10-4-7-14-8-5-11-21-18(14)17/h2-11,13,25H,12H2,1H3,(H,22,24)
InChIKeyWRKFZDDQCGTQAG-UHFFFAOYSA-N
XLogP2.97
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide (CID 10454788) is 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide?
The InChIKey is WRKFZDDQCGTQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-13(19(24)22-25)23(12-15-6-2-3-9-16(15)20)28(26,27)17-10-4-7-14-8-5-11-21-18(14)17/h2-11,13,25H,12H2,1H3,(H,22,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide has a molecular weight of 419.89 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-quinolin-8-ylsulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 10454788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).