2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc

C8H10ClNO5SZn — CID 87920625

IUPAC2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc
SMILESNC(=O)CCl.O=S(=O)(O)c1ccccc1O.[Zn]
InChIInChI=1S/C6H6O4S.C2H4ClNO.Zn/c7-5-3-1-2-4-6(5)11(8,9)10;3-1-2(4)5;/h1-4,7H,(H,8,9,10);1H2,(H2,4,5);
InChIKeyGSWSGMBDWFRMOX-UHFFFAOYSA-N
MW333.08 g/mol
LogP0.35
Rot. Bonds2

About 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc

2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc (PubChem CID 87920625) has the molecular formula C8H10ClNO5SZn and a molecular weight of 333.08 g/mol. Its IUPAC name is 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc.

Molecular Properties

Compound Name2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc
PubChem CID87920625
Molecular FormulaC8H10ClNO5SZn
Molecular Weight333.08 g/mol
Exact Mass330.93
IUPAC Name2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc
SMILESNC(=O)CCl.O=S(=O)(O)c1ccccc1O.[Zn]
InChIInChI=1S/C6H6O4S.C2H4ClNO.Zn/c7-5-3-1-2-4-6(5)11(8,9)10;3-1-2(4)5;/h1-4,7H,(H,8,9,10);1H2,(H2,4,5);
InChIKeyGSWSGMBDWFRMOX-UHFFFAOYSA-N
XLogP0.35
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.08
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc?
The IUPAC name of 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc (CID 87920625) is 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc.
What is the SMILES notation for 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc?
The canonical SMILES for 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc is NC(=O)CCl.O=S(=O)(O)c1ccccc1O.[Zn].
What is the InChIKey of 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc?
The InChIKey is GSWSGMBDWFRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4S.C2H4ClNO.Zn/c7-5-3-1-2-4-6(5)11(8,9)10;3-1-2(4)5;/h1-4,7H,(H,8,9,10);1H2,(H2,4,5);.
What are the key properties of 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc?
2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc has a molecular weight of 333.08 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetamide;2-hydroxybenzenesulfonic acid;zinc is sourced from PubChem (CID 87920625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).