sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride

C12H12NNaO4S — CID 173199207

IUPACsodium;7-acetamidonaphthalene-2-sulfonic acid;hydride
SMILESCC(=O)Nc1ccc2ccc(S(=O)(=O)O)cc2c1.[H-].[Na+]
InChIInChI=1S/C12H11NO4S.Na.H/c1-8(14)13-11-4-2-9-3-5-12(18(15,16)17)7-10(9)6-11;;/h2-7H,1H3,(H,13,14)(H,15,16,17);;/q;+1;-1
InChIKeyCLSLUYOJXURRIF-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.84
Rot. Bonds2

About sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride

sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride (PubChem CID 173199207) has the molecular formula C12H12NNaO4S and a molecular weight of 289.29 g/mol. Its IUPAC name is sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;7-acetamidonaphthalene-2-sulfonic acid;hydride
PubChem CID173199207
Molecular FormulaC12H12NNaO4S
Molecular Weight289.29 g/mol
Exact Mass289.04
IUPAC Namesodium;7-acetamidonaphthalene-2-sulfonic acid;hydride
SMILESCC(=O)Nc1ccc2ccc(S(=O)(=O)O)cc2c1.[H-].[Na+]
InChIInChI=1S/C12H11NO4S.Na.H/c1-8(14)13-11-4-2-9-3-5-12(18(15,16)17)7-10(9)6-11;;/h2-7H,1H3,(H,13,14)(H,15,16,17);;/q;+1;-1
InChIKeyCLSLUYOJXURRIF-UHFFFAOYSA-N
XLogP-0.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 87937963
CID 87937963
4-acetamidobenzenesulfonic acid chloride
CID 53446633
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
6-acetamido-4-hydroxynaphthalene-2-sulfonic acid;6-[acetyl(methyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 88729795
CID 87246277
CID 87246277
sodium;hydride;6-methylnaphthalene-2-sulfonic acid
CID 173399427
1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea
CID 58665205
2-[(6-acetamidonaphthalen-2-yl)sulfonylamino]acetic acid
CID 14457729
naphthalene-2-sulfonic acid
CID 8420
sodium 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid
CID 54608541
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755

Frequently Asked Questions

What is the IUPAC name of sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride?
The IUPAC name of sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride (CID 173199207) is sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride?
The canonical SMILES for sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride is CC(=O)Nc1ccc2ccc(S(=O)(=O)O)cc2c1.[H-].[Na+].
What is the InChIKey of sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride?
The InChIKey is CLSLUYOJXURRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S.Na.H/c1-8(14)13-11-4-2-9-3-5-12(18(15,16)17)7-10(9)6-11;;/h2-7H,1H3,(H,13,14)(H,15,16,17);;/q;+1;-1.
What are the key properties of sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride?
sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride has a molecular weight of 289.29 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride is sourced from PubChem (CID 173199207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).