8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid

C18H15NO4S2 — CID 2817411

IUPAC8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccccc1Sc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C18H15NO4S2/c1-19-25(22,23)16-11-3-2-9-14(16)24-15-10-5-7-12-6-4-8-13(17(12)15)18(20)21/h2-11,19H,1H3,(H,20,21)
InChIKeyWYYHGNSQZPKKIM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.60
Rot. Bonds5

About 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid

8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid (PubChem CID 2817411) has the molecular formula C18H15NO4S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
PubChem CID2817411
Molecular FormulaC18H15NO4S2
Molecular Weight373.46 g/mol
Exact Mass373.04
IUPAC Name8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccccc1Sc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C18H15NO4S2/c1-19-25(22,23)16-11-3-2-9-14(16)24-15-10-5-7-12-6-4-8-13(17(12)15)18(20)21/h2-11,19H,1H3,(H,20,21)
InChIKeyWYYHGNSQZPKKIM-UHFFFAOYSA-N
XLogP3.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid?
The IUPAC name of 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid (CID 2817411) is 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid?
The canonical SMILES for 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid is CNS(=O)(=O)c1ccccc1Sc1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid?
The InChIKey is WYYHGNSQZPKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S2/c1-19-25(22,23)16-11-3-2-9-14(16)24-15-10-5-7-12-6-4-8-13(17(12)15)18(20)21/h2-11,19H,1H3,(H,20,21).
What are the key properties of 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid?
8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid has a molecular weight of 373.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 2817411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).