sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride

C12H14NNaO3S — CID 173060733

IUPACsodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
SMILESCN(C)c1cccc2c(S(=O)(=O)O)cccc12.[H-].[Na+]
InChIInChI=1S/C12H13NO3S.Na.H/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16;;/h3-8H,1-2H3,(H,14,15,16);;/q;+1;-1
InChIKeyYZCBHZICYUBTPX-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.73
Rot. Bonds2

About sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride

sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride (PubChem CID 173060733) has the molecular formula C12H14NNaO3S and a molecular weight of 275.31 g/mol. Its IUPAC name is sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
PubChem CID173060733
Molecular FormulaC12H14NNaO3S
Molecular Weight275.31 g/mol
Exact Mass275.06
IUPAC Namesodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
SMILESCN(C)c1cccc2c(S(=O)(=O)O)cccc12.[H-].[Na+]
InChIInChI=1S/C12H13NO3S.Na.H/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16;;/h3-8H,1-2H3,(H,14,15,16);;/q;+1;-1
InChIKeyYZCBHZICYUBTPX-UHFFFAOYSA-N
XLogP-0.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(dimethylamino)naphthalen-1-yl]sulfonylphosphonic acid
CID 23282453
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine
CID 141296810
5-[[4,7-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]-1,4,7-triazonan-1-yl]sulfonyl]-N,N-dimethylnaphthalen-1-amine
CID 15025915
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate
CID 3661171
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383

Frequently Asked Questions

What is the IUPAC name of sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride?
The IUPAC name of sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride (CID 173060733) is sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride?
The canonical SMILES for sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride is CN(C)c1cccc2c(S(=O)(=O)O)cccc12.[H-].[Na+].
What is the InChIKey of sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride?
The InChIKey is YZCBHZICYUBTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S.Na.H/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16;;/h3-8H,1-2H3,(H,14,15,16);;/q;+1;-1.
What are the key properties of sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride?
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride has a molecular weight of 275.31 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride is sourced from PubChem (CID 173060733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).