2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid

C14H15NO4S — CID 974015

IUPAC2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO4S/c1-2-15(10-14(16)17)20(18,19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyGBEWEDVJDWVGOA-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.93
Rot. Bonds5

About 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid

2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid (PubChem CID 974015) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid
PubChem CID974015
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO4S/c1-2-15(10-14(16)17)20(18,19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyGBEWEDVJDWVGOA-UHFFFAOYSA-N
XLogP1.93
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid (CID 974015) is 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid is CCN(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
The InChIKey is GBEWEDVJDWVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-2-15(10-14(16)17)20(18,19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 974015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).