5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide

C15H15ClN2O4S — CID 20772124

IUPAC5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide
SMILESCc1cccc(C)c1NC(=O)c1cc(SOON)c(Cl)cc1O
InChIInChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23-22-21-17)11(16)7-12(10)19/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyAUJNYICUIQXHQP-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.74
Rot. Bonds5

About 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide

5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide (PubChem CID 20772124) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide
PubChem CID20772124
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide
SMILESCc1cccc(C)c1NC(=O)c1cc(SOON)c(Cl)cc1O
InChIInChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23-22-21-17)11(16)7-12(10)19/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyAUJNYICUIQXHQP-UHFFFAOYSA-N
XLogP3.74
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide?
The IUPAC name of 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide (CID 20772124) is 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide is Cc1cccc(C)c1NC(=O)c1cc(SOON)c(Cl)cc1O.
What is the InChIKey of 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide?
The InChIKey is AUJNYICUIQXHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23-22-21-17)11(16)7-12(10)19/h3-7,19H,17H2,1-2H3,(H,18,20).
What are the key properties of 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide?
5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide has a molecular weight of 354.82 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoperoxysulfanyl-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 20772124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).