(8-aminonaphthalen-2-yl) sulfite

C10H8NO3S- — CID 174386397

IUPAC(8-aminonaphthalen-2-yl) sulfite
SMILESNc1cccc2ccc(OS(=O)[O-])cc12
InChIInChI=1S/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)14-15(12)13/h1-6H,11H2,(H,12,13)/p-1
InChIKeySGDPWGNPAFZESH-UHFFFAOYSA-M
MW222.25 g/mol
LogP1.59
Rot. Bonds2

About (8-aminonaphthalen-2-yl) sulfite

(8-aminonaphthalen-2-yl) sulfite (PubChem CID 174386397) has the molecular formula C10H8NO3S- and a molecular weight of 222.25 g/mol. Its IUPAC name is (8-aminonaphthalen-2-yl) sulfite.

Molecular Properties

Compound Name(8-aminonaphthalen-2-yl) sulfite
PubChem CID174386397
Molecular FormulaC10H8NO3S-
Molecular Weight222.25 g/mol
Exact Mass222.02
IUPAC Name(8-aminonaphthalen-2-yl) sulfite
SMILESNc1cccc2ccc(OS(=O)[O-])cc12
InChIInChI=1S/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)14-15(12)13/h1-6H,11H2,(H,12,13)/p-1
InChIKeySGDPWGNPAFZESH-UHFFFAOYSA-M
XLogP1.59
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-aminonaphthalen-2-yl) sulfite?
The IUPAC name of (8-aminonaphthalen-2-yl) sulfite (CID 174386397) is (8-aminonaphthalen-2-yl) sulfite.
What is the SMILES notation for (8-aminonaphthalen-2-yl) sulfite?
The canonical SMILES for (8-aminonaphthalen-2-yl) sulfite is Nc1cccc2ccc(OS(=O)[O-])cc12.
What is the InChIKey of (8-aminonaphthalen-2-yl) sulfite?
The InChIKey is SGDPWGNPAFZESH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)14-15(12)13/h1-6H,11H2,(H,12,13)/p-1.
What are the key properties of (8-aminonaphthalen-2-yl) sulfite?
(8-aminonaphthalen-2-yl) sulfite has a molecular weight of 222.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-aminonaphthalen-2-yl) sulfite is sourced from PubChem (CID 174386397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).