sodium (2-aminophenyl) sulfite

C6H6NNaO3S — CID 156780353

IUPACsodium (2-aminophenyl) sulfite
SMILESNc1ccccc1OS(=O)[O-].[Na+]
InChIInChI=1S/C6H7NO3S.Na/c7-5-3-1-2-4-6(5)10-11(8)9;/h1-4H,7H2,(H,8,9);/q;+1/p-1
InChIKeyVLYKQFMUMZGFHT-UHFFFAOYSA-M
MW195.18 g/mol
LogP-2.55
Rot. Bonds2

About sodium (2-aminophenyl) sulfite

sodium (2-aminophenyl) sulfite (PubChem CID 156780353) has the molecular formula C6H6NNaO3S and a molecular weight of 195.18 g/mol. Its IUPAC name is sodium (2-aminophenyl) sulfite.

Molecular Properties

Compound Namesodium (2-aminophenyl) sulfite
PubChem CID156780353
Molecular FormulaC6H6NNaO3S
Molecular Weight195.18 g/mol
Exact Mass195.00
IUPAC Namesodium (2-aminophenyl) sulfite
SMILESNc1ccccc1OS(=O)[O-].[Na+]
InChIInChI=1S/C6H7NO3S.Na/c7-5-3-1-2-4-6(5)10-11(8)9;/h1-4H,7H2,(H,8,9);/q;+1/p-1
InChIKeyVLYKQFMUMZGFHT-UHFFFAOYSA-M
XLogP-2.55
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-2.55
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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Related Compounds

(5-aminonaphthalen-1-yl) sulfite
CID 67552132
(3-aminonaphthalen-2-yl) sulfite
CID 174651663
(4-amino-9,10-dioxoanthracen-1-yl) sulfite
CID 57176324
sodium phenyl sulfite
CID 68748465
magnesium;hydride;naphthalen-1-yl sulfite
CID 174653300
(2-prop-1-enylphenyl) sulfite
CID 175142928
phenyl sulfite
CID 14972829
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
potassium phenyl sulfite
CID 162337240
potassium azulen-1-yl sulfite
CID 174713205
2-(2-aminophenoxy)peroxyaniline
CID 15807265
potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride
CID 174411913

Frequently Asked Questions

What is the IUPAC name of sodium (2-aminophenyl) sulfite?
The IUPAC name of sodium (2-aminophenyl) sulfite (CID 156780353) is sodium (2-aminophenyl) sulfite.
What is the SMILES notation for sodium (2-aminophenyl) sulfite?
The canonical SMILES for sodium (2-aminophenyl) sulfite is Nc1ccccc1OS(=O)[O-].[Na+].
What is the InChIKey of sodium (2-aminophenyl) sulfite?
The InChIKey is VLYKQFMUMZGFHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO3S.Na/c7-5-3-1-2-4-6(5)10-11(8)9;/h1-4H,7H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium (2-aminophenyl) sulfite?
sodium (2-aminophenyl) sulfite has a molecular weight of 195.18 g/mol, XLogP of -2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-aminophenyl) sulfite is sourced from PubChem (CID 156780353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).