8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid

C19H15NO4S — CID 2801939

IUPAC8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid
SMILESCNC(=O)c1ccccc1S(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C19H15NO4S/c1-20-18(21)13-8-2-3-10-15(13)25(24)16-11-5-7-12-6-4-9-14(17(12)16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyBAABZTNPWXJYDI-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.06
Rot. Bonds4

About 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid

8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid (PubChem CID 2801939) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid
PubChem CID2801939
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid
SMILESCNC(=O)c1ccccc1S(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C19H15NO4S/c1-20-18(21)13-8-2-3-10-15(13)25(24)16-11-5-7-12-6-4-9-14(17(12)16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyBAABZTNPWXJYDI-UHFFFAOYSA-N
XLogP3.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid?
The IUPAC name of 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid (CID 2801939) is 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid?
The canonical SMILES for 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid is CNC(=O)c1ccccc1S(=O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid?
The InChIKey is BAABZTNPWXJYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-20-18(21)13-8-2-3-10-15(13)25(24)16-11-5-7-12-6-4-9-14(17(12)16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid?
8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid has a molecular weight of 353.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(methylcarbamoyl)phenyl]sulfinylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 2801939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).