methyl 2-(naphthalen-2-ylsulfamoyl)acetate

C13H13NO4S — CID 59374682

IUPACmethyl 2-(naphthalen-2-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO4S/c1-18-13(15)9-19(16,17)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,14H,9H2,1H3
InChIKeyCCUFUYPPPZHEGO-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.75
Rot. Bonds4

About methyl 2-(naphthalen-2-ylsulfamoyl)acetate

methyl 2-(naphthalen-2-ylsulfamoyl)acetate (PubChem CID 59374682) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is methyl 2-(naphthalen-2-ylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(naphthalen-2-ylsulfamoyl)acetate
PubChem CID59374682
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Namemethyl 2-(naphthalen-2-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO4S/c1-18-13(15)9-19(16,17)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,14H,9H2,1H3
InChIKeyCCUFUYPPPZHEGO-UHFFFAOYSA-N
XLogP1.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-2-ylsulfamoyl)acetate?
The IUPAC name of methyl 2-(naphthalen-2-ylsulfamoyl)acetate (CID 59374682) is methyl 2-(naphthalen-2-ylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(naphthalen-2-ylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(naphthalen-2-ylsulfamoyl)acetate is COC(=O)CS(=O)(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(naphthalen-2-ylsulfamoyl)acetate?
The InChIKey is CCUFUYPPPZHEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-18-13(15)9-19(16,17)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,14H,9H2,1H3.
What are the key properties of methyl 2-(naphthalen-2-ylsulfamoyl)acetate?
methyl 2-(naphthalen-2-ylsulfamoyl)acetate has a molecular weight of 279.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-2-ylsulfamoyl)acetate is sourced from PubChem (CID 59374682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).