1-chlorosulfonylnaphthalene-2-carboxylic acid

C11H7ClO4S — CID 131505334

IUPAC1-chlorosulfonylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H7ClO4S/c12-17(15,16)10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)
InChIKeyKLABXKMAIRHODF-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.47
Rot. Bonds2

About 1-chlorosulfonylnaphthalene-2-carboxylic acid

1-chlorosulfonylnaphthalene-2-carboxylic acid (PubChem CID 131505334) has the molecular formula C11H7ClO4S and a molecular weight of 270.69 g/mol. Its IUPAC name is 1-chlorosulfonylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-chlorosulfonylnaphthalene-2-carboxylic acid
PubChem CID131505334
Molecular FormulaC11H7ClO4S
Molecular Weight270.69 g/mol
Exact Mass269.98
IUPAC Name1-chlorosulfonylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H7ClO4S/c12-17(15,16)10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)
InChIKeyKLABXKMAIRHODF-UHFFFAOYSA-N
XLogP2.47
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-chlorosulfonylnaphthalene-2-carboxylic acid (CID 131505334) is 1-chlorosulfonylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-chlorosulfonylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-chlorosulfonylnaphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1S(=O)(=O)Cl.
What is the InChIKey of 1-chlorosulfonylnaphthalene-2-carboxylic acid?
The InChIKey is KLABXKMAIRHODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO4S/c12-17(15,16)10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 1-chlorosulfonylnaphthalene-2-carboxylic acid?
1-chlorosulfonylnaphthalene-2-carboxylic acid has a molecular weight of 270.69 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 131505334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).