(8-Phenylnaphthalen-1-yl) sulfite

C16H11O3S- — CID 175356510

IUPAC(8-phenylnaphthalen-1-yl) sulfite
SMILESC1=CC=C(C=C1)C2=CC=CC3=C2C(=CC=C3)OS(=O)[O-]
InChIInChI=1S/C16H12O3S/c17-20(18)19-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12/h1-11H,(H,17,18)/p-1
InChIKeyMVILCKUJYOFAPD-UHFFFAOYSA-M
MW283.30 g/mol
LogP3.80
Rot. Bonds2

About (8-Phenylnaphthalen-1-yl) sulfite

(8-Phenylnaphthalen-1-yl) sulfite (PubChem CID 175356510) has the molecular formula C16H11O3S- and a molecular weight of 283.30 g/mol. Its IUPAC name is (8-phenylnaphthalen-1-yl) sulfite.

Molecular Properties

Compound Name(8-Phenylnaphthalen-1-yl) sulfite
PubChem CID175356510
Molecular FormulaC16H11O3S-
Molecular Weight283.30 g/mol
Exact Mass283.04
IUPAC Name(8-phenylnaphthalen-1-yl) sulfite
SMILESC1=CC=C(C=C1)C2=CC=CC3=C2C(=CC=C3)OS(=O)[O-]
InChIInChI=1S/C16H12O3S/c17-20(18)19-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12/h1-11H,(H,17,18)/p-1
InChIKeyMVILCKUJYOFAPD-UHFFFAOYSA-M
XLogP3.80
TPSA68.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity335

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-Phenylnaphthalen-1-yl) sulfite?
The IUPAC name of (8-Phenylnaphthalen-1-yl) sulfite (CID 175356510) is (8-phenylnaphthalen-1-yl) sulfite.
What is the SMILES notation for (8-Phenylnaphthalen-1-yl) sulfite?
The canonical SMILES for (8-Phenylnaphthalen-1-yl) sulfite is C1=CC=C(C=C1)C2=CC=CC3=C2C(=CC=C3)OS(=O)[O-].
What is the InChIKey of (8-Phenylnaphthalen-1-yl) sulfite?
The InChIKey is MVILCKUJYOFAPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12O3S/c17-20(18)19-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12/h1-11H,(H,17,18)/p-1.
What are the key properties of (8-Phenylnaphthalen-1-yl) sulfite?
(8-Phenylnaphthalen-1-yl) sulfite has a molecular weight of 283.30 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-Phenylnaphthalen-1-yl) sulfite is sourced from PubChem (CID 175356510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).