sodium;naphthalene-1-sulfonic acid;nonane

C19H27NaO3S — CID 159063817

IUPACsodium;naphthalene-1-sulfonic acid;nonane
SMILESO=S(=O)(O)c1cccc2ccccc12.[CH2-]CCCCCCCC.[Na+]
InChIInChI=1S/C10H8O3S.C9H19.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-7-9-8-6-4-2;/h1-7H,(H,11,12,13);1,3-9H2,2H3;/q;-1;+1
InChIKeyDJZYQQRFSDZBHW-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.66
Rot. Bonds7

About sodium;naphthalene-1-sulfonic acid;nonane

sodium;naphthalene-1-sulfonic acid;nonane (PubChem CID 159063817) has the molecular formula C19H27NaO3S and a molecular weight of 358.48 g/mol. Its IUPAC name is sodium;naphthalene-1-sulfonic acid;nonane.

Molecular Properties

Compound Namesodium;naphthalene-1-sulfonic acid;nonane
PubChem CID159063817
Molecular FormulaC19H27NaO3S
Molecular Weight358.48 g/mol
Exact Mass358.16
IUPAC Namesodium;naphthalene-1-sulfonic acid;nonane
SMILESO=S(=O)(O)c1cccc2ccccc12.[CH2-]CCCCCCCC.[Na+]
InChIInChI=1S/C10H8O3S.C9H19.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-7-9-8-6-4-2;/h1-7H,(H,11,12,13);1,3-9H2,2H3;/q;-1;+1
InChIKeyDJZYQQRFSDZBHW-UHFFFAOYSA-N
XLogP2.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;naphthalene-1-sulfonic acid;nonane?
The IUPAC name of sodium;naphthalene-1-sulfonic acid;nonane (CID 159063817) is sodium;naphthalene-1-sulfonic acid;nonane.
What is the SMILES notation for sodium;naphthalene-1-sulfonic acid;nonane?
The canonical SMILES for sodium;naphthalene-1-sulfonic acid;nonane is O=S(=O)(O)c1cccc2ccccc12.[CH2-]CCCCCCCC.[Na+].
What is the InChIKey of sodium;naphthalene-1-sulfonic acid;nonane?
The InChIKey is DJZYQQRFSDZBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.C9H19.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-7-9-8-6-4-2;/h1-7H,(H,11,12,13);1,3-9H2,2H3;/q;-1;+1.
What are the key properties of sodium;naphthalene-1-sulfonic acid;nonane?
sodium;naphthalene-1-sulfonic acid;nonane has a molecular weight of 358.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;naphthalene-1-sulfonic acid;nonane is sourced from PubChem (CID 159063817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).