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

C16H16ClN3O6S — CID 23645800

IUPAC2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16ClN3O6S/c1-11(16(21)18-22)19(10-12-4-2-3-5-15(12)17)27(25,26)14-8-6-13(7-9-14)20(23)24/h2-9,11,22H,10H2,1H3,(H,18,21)
InChIKeyYKZNNINTCBRFNY-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.33
Rot. Bonds7

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

2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645800) has the molecular formula C16H16ClN3O6S and a molecular weight of 413.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID23645800
Molecular FormulaC16H16ClN3O6S
Molecular Weight413.84 g/mol
Exact Mass413.04
IUPAC Name2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16ClN3O6S/c1-11(16(21)18-22)19(10-12-4-2-3-5-15(12)17)27(25,26)14-8-6-13(7-9-14)20(23)24/h2-9,11,22H,10H2,1H3,(H,18,21)
InChIKeyYKZNNINTCBRFNY-UHFFFAOYSA-N
XLogP2.33
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitrophenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide (CID 23645800) is 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is YKZNNINTCBRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O6S/c1-11(16(21)18-22)19(10-12-4-2-3-5-15(12)17)27(25,26)14-8-6-13(7-9-14)20(23)24/h2-9,11,22H,10H2,1H3,(H,18,21).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 413.84 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).