2-naphthalen-2-ylsulfonylacetic acid

C12H10O4S — CID 515138

IUPAC2-naphthalen-2-ylsulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H10O4S/c13-12(14)8-17(15,16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKeyMKHDCRVCMRBIRI-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.70
Rot. Bonds3

About 2-naphthalen-2-ylsulfonylacetic acid

2-naphthalen-2-ylsulfonylacetic acid (PubChem CID 515138) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonylacetic acid.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonylacetic acid
PubChem CID515138
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name2-naphthalen-2-ylsulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H10O4S/c13-12(14)8-17(15,16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKeyMKHDCRVCMRBIRI-UHFFFAOYSA-N
XLogP1.70
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonylacetic acid?
The IUPAC name of 2-naphthalen-2-ylsulfonylacetic acid (CID 515138) is 2-naphthalen-2-ylsulfonylacetic acid.
What is the SMILES notation for 2-naphthalen-2-ylsulfonylacetic acid?
The canonical SMILES for 2-naphthalen-2-ylsulfonylacetic acid is O=C(O)CS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylsulfonylacetic acid?
The InChIKey is MKHDCRVCMRBIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-12(14)8-17(15,16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14).
What are the key properties of 2-naphthalen-2-ylsulfonylacetic acid?
2-naphthalen-2-ylsulfonylacetic acid has a molecular weight of 250.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonylacetic acid is sourced from PubChem (CID 515138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).