N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide

C9H12N2O4S — CID 3019281

IUPACN-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C9H12N2O4S/c1-6(12)11-8-5-7(3-4-9(8)13)16(14,15)10-2/h3-5,10,13H,1-2H3,(H,11,12)
InChIKeyDQXPHNSMSRYBCV-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.26
Rot. Bonds3

About N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide

N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide (PubChem CID 3019281) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide
PubChem CID3019281
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC NameN-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C9H12N2O4S/c1-6(12)11-8-5-7(3-4-9(8)13)16(14,15)10-2/h3-5,10,13H,1-2H3,(H,11,12)
InChIKeyDQXPHNSMSRYBCV-UHFFFAOYSA-N
XLogP0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide (CID 3019281) is N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccc(O)c(NC(C)=O)c1.
What is the InChIKey of N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is DQXPHNSMSRYBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6(12)11-8-5-7(3-4-9(8)13)16(14,15)10-2/h3-5,10,13H,1-2H3,(H,11,12).
What are the key properties of N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide?
N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 244.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3019281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).