sodium;4-acetamidobenzenesulfinic acid;hydride

C8H10NNaO3S — CID 173018720

IUPACsodium;4-acetamidobenzenesulfinic acid;hydride
SMILESCC(=O)Nc1ccc(S(=O)O)cc1.[H-].[Na+]
InChIInChI=1S/C8H9NO3S.Na.H/c1-6(10)9-7-2-4-8(5-3-7)13(11)12;;/h2-5H,1H3,(H,9,10)(H,11,12);;/q;+1;-1
InChIKeyVSKYUSPJCMCIJF-UHFFFAOYSA-N
MW223.23 g/mol
LogP-1.66
Rot. Bonds2

About sodium;4-acetamidobenzenesulfinic acid;hydride

sodium;4-acetamidobenzenesulfinic acid;hydride (PubChem CID 173018720) has the molecular formula C8H10NNaO3S and a molecular weight of 223.23 g/mol. Its IUPAC name is sodium;4-acetamidobenzenesulfinic acid;hydride.

Molecular Properties

Compound Namesodium;4-acetamidobenzenesulfinic acid;hydride
PubChem CID173018720
Molecular FormulaC8H10NNaO3S
Molecular Weight223.23 g/mol
Exact Mass223.03
IUPAC Namesodium;4-acetamidobenzenesulfinic acid;hydride
SMILESCC(=O)Nc1ccc(S(=O)O)cc1.[H-].[Na+]
InChIInChI=1S/C8H9NO3S.Na.H/c1-6(10)9-7-2-4-8(5-3-7)13(11)12;;/h2-5H,1H3,(H,9,10)(H,11,12);;/q;+1;-1
InChIKeyVSKYUSPJCMCIJF-UHFFFAOYSA-N
XLogP-1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetamidophenyl)benzenesulfinic acid
CID 154266500
sodium;4-(2-acetamido-1,3-thiazol-4-yl)benzenesulfinic acid;hydride
CID 173149508
N-(4-methylphenyl)acetamide
CID 7684
6-acetamido-4-hydroxynaphthalene-2-sulfinic acid
CID 57237886
4-acetamidobenzoyl chloride
CID 7010341
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-iodophenyl)acetamide
CID 12147
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
3-acetamido-4-(2-acetamido-4-sulfinophenoxy)benzenesulfinic acid
CID 54139904
3-acetamido-5-methoxybenzenesulfinic acid
CID 101304035
methanamine;N-(4-methylphenyl)acetamide
CID 142152295

Frequently Asked Questions

What is the IUPAC name of sodium;4-acetamidobenzenesulfinic acid;hydride?
The IUPAC name of sodium;4-acetamidobenzenesulfinic acid;hydride (CID 173018720) is sodium;4-acetamidobenzenesulfinic acid;hydride.
What is the SMILES notation for sodium;4-acetamidobenzenesulfinic acid;hydride?
The canonical SMILES for sodium;4-acetamidobenzenesulfinic acid;hydride is CC(=O)Nc1ccc(S(=O)O)cc1.[H-].[Na+].
What is the InChIKey of sodium;4-acetamidobenzenesulfinic acid;hydride?
The InChIKey is VSKYUSPJCMCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S.Na.H/c1-6(10)9-7-2-4-8(5-3-7)13(11)12;;/h2-5H,1H3,(H,9,10)(H,11,12);;/q;+1;-1.
What are the key properties of sodium;4-acetamidobenzenesulfinic acid;hydride?
sodium;4-acetamidobenzenesulfinic acid;hydride has a molecular weight of 223.23 g/mol, XLogP of -1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-acetamidobenzenesulfinic acid;hydride is sourced from PubChem (CID 173018720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).