8-cyanonaphthalene-1-sulfonate

C11H6NO3S- — CID 4578291

IUPAC8-cyanonaphthalene-1-sulfonate
SMILESN#Cc1cccc2cccc(S(=O)(=O)[O-])c12
InChIInChI=1S/C11H7NO3S/c12-7-9-5-1-3-8-4-2-6-10(11(8)9)16(13,14)15/h1-6H,(H,13,14,15)/p-1
InChIKeyHZSVYDSUGKRFRN-UHFFFAOYSA-M
MW232.24 g/mol
LogP1.62
Rot. Bonds1

About 8-cyanonaphthalene-1-sulfonate

8-cyanonaphthalene-1-sulfonate (PubChem CID 4578291) has the molecular formula C11H6NO3S- and a molecular weight of 232.24 g/mol. Its IUPAC name is 8-cyanonaphthalene-1-sulfonate.

Molecular Properties

Compound Name8-cyanonaphthalene-1-sulfonate
PubChem CID4578291
Molecular FormulaC11H6NO3S-
Molecular Weight232.24 g/mol
Exact Mass232.01
IUPAC Name8-cyanonaphthalene-1-sulfonate
SMILESN#Cc1cccc2cccc(S(=O)(=O)[O-])c12
InChIInChI=1S/C11H7NO3S/c12-7-9-5-1-3-8-4-2-6-10(11(8)9)16(13,14)15/h1-6H,(H,13,14,15)/p-1
InChIKeyHZSVYDSUGKRFRN-UHFFFAOYSA-M
XLogP1.62
TPSA80.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-cyanonaphthalene-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 8-hydroxynaphthalene-1-sulfonate
CID 23672328
8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
CID 629814
sodium 8-chloronaphthalene-1-sulfonate
CID 23667431
sodium 8-methylnaphthalene-1-sulfonate
CID 101315117
magnesium 8-aminonaphthalene-1-sulfonate
CID 3017064
6-cyanonaphthalene-1-sulfonate
CID 58462885
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243
naphthalene-1,2,8-tricarbonitrile
CID 54287628
2-(2-cyanophenyl)sulfonylguanidine
CID 172732874
disodium;anthracene-1,5-disulfonate
CID 87786614
tripotassium;benzene-1,2,3-trisulfonate
CID 139908271
sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate
CID 135848721

Frequently Asked Questions

What is the IUPAC name of 8-cyanonaphthalene-1-sulfonate?
The IUPAC name of 8-cyanonaphthalene-1-sulfonate (CID 4578291) is 8-cyanonaphthalene-1-sulfonate.
What is the SMILES notation for 8-cyanonaphthalene-1-sulfonate?
The canonical SMILES for 8-cyanonaphthalene-1-sulfonate is N#Cc1cccc2cccc(S(=O)(=O)[O-])c12.
What is the InChIKey of 8-cyanonaphthalene-1-sulfonate?
The InChIKey is HZSVYDSUGKRFRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7NO3S/c12-7-9-5-1-3-8-4-2-6-10(11(8)9)16(13,14)15/h1-6H,(H,13,14,15)/p-1.
What are the key properties of 8-cyanonaphthalene-1-sulfonate?
8-cyanonaphthalene-1-sulfonate has a molecular weight of 232.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyanonaphthalene-1-sulfonate is sourced from PubChem (CID 4578291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).