2-(naphthalen-1-ylsulfonylamino)acetate

C12H10NO4S- — CID 4135349

IUPAC2-(naphthalen-1-ylsulfonylamino)acetate
SMILESO=C([O-])CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)/p-1
InChIKeyXRQQHZFWAKIKQH-UHFFFAOYSA-M
MW264.28 g/mol
LogP-0.13
Rot. Bonds4

About 2-(naphthalen-1-ylsulfonylamino)acetate

2-(naphthalen-1-ylsulfonylamino)acetate (PubChem CID 4135349) has the molecular formula C12H10NO4S- and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(naphthalen-1-ylsulfonylamino)acetate.

Molecular Properties

Compound Name2-(naphthalen-1-ylsulfonylamino)acetate
PubChem CID4135349
Molecular FormulaC12H10NO4S-
Molecular Weight264.28 g/mol
Exact Mass264.03
IUPAC Name2-(naphthalen-1-ylsulfonylamino)acetate
SMILESO=C([O-])CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)/p-1
InChIKeyXRQQHZFWAKIKQH-UHFFFAOYSA-M
XLogP-0.13
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylsulfonylamino)acetate?
The IUPAC name of 2-(naphthalen-1-ylsulfonylamino)acetate (CID 4135349) is 2-(naphthalen-1-ylsulfonylamino)acetate.
What is the SMILES notation for 2-(naphthalen-1-ylsulfonylamino)acetate?
The canonical SMILES for 2-(naphthalen-1-ylsulfonylamino)acetate is O=C([O-])CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylsulfonylamino)acetate?
The InChIKey is XRQQHZFWAKIKQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)/p-1.
What are the key properties of 2-(naphthalen-1-ylsulfonylamino)acetate?
2-(naphthalen-1-ylsulfonylamino)acetate has a molecular weight of 264.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylsulfonylamino)acetate is sourced from PubChem (CID 4135349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).