2-(naphthalen-1-ylsulfamoyl)acetic acid

C12H11NO4S — CID 28773986

IUPAC2-(naphthalen-1-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C12H11NO4S/c14-12(15)8-18(16,17)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)
InChIKeyQGFJLSFJMKELCH-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.67
Rot. Bonds4

About 2-(naphthalen-1-ylsulfamoyl)acetic acid

2-(naphthalen-1-ylsulfamoyl)acetic acid (PubChem CID 28773986) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(naphthalen-1-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylsulfamoyl)acetic acid
PubChem CID28773986
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name2-(naphthalen-1-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C12H11NO4S/c14-12(15)8-18(16,17)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)
InChIKeyQGFJLSFJMKELCH-UHFFFAOYSA-N
XLogP1.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(naphthalen-1-ylsulfamoyl)acetic acid (CID 28773986) is 2-(naphthalen-1-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(naphthalen-1-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(naphthalen-1-ylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylsulfamoyl)acetic acid?
The InChIKey is QGFJLSFJMKELCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c14-12(15)8-18(16,17)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15).
What are the key properties of 2-(naphthalen-1-ylsulfamoyl)acetic acid?
2-(naphthalen-1-ylsulfamoyl)acetic acid has a molecular weight of 265.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylsulfamoyl)acetic acid is sourced from PubChem (CID 28773986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).