methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

C14H15NO4S — CID 3913914

IUPACmethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO4S/c1-19-14(16)8-9-15-20(17,18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,15H,8-9H2,1H3
InChIKeyCIZZXKQWNIRGDS-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.68
Rot. Bonds5

About methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

methyl 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 3913914) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID3913914
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Namemethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO4S/c1-19-14(16)8-9-15-20(17,18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,15H,8-9H2,1H3
InChIKeyCIZZXKQWNIRGDS-UHFFFAOYSA-N
XLogP1.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of methyl 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 3913914) is methyl 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-(naphthalen-2-ylsulfonylamino)propanoate is COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is CIZZXKQWNIRGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-19-14(16)8-9-15-20(17,18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,15H,8-9H2,1H3.
What are the key properties of methyl 3-(naphthalen-2-ylsulfonylamino)propanoate?
methyl 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 293.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 3913914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).