CID 175921025

C17H14O3SSn — CID 175921025

IUPAC—
SMILESO=S(=O)(OCc1ccccc1)c1cccc2ccccc12.[Sn]
InChIInChI=1S/C17H14O3S.Sn/c18-21(19,20-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17;/h1-12H,13H2;
InChIKeyBNDJGOJABMPHPB-UHFFFAOYSA-N
MW417.07 g/mol
LogP3.36
Rot. Bonds4

About CID 175921025

CID 175921025 (PubChem CID 175921025) has the molecular formula C17H14O3SSn and a molecular weight of 417.07 g/mol.

Molecular Properties

Compound NameCID 175921025
PubChem CID175921025
Molecular FormulaC17H14O3SSn
Molecular Weight417.07 g/mol
Exact Mass417.97
IUPAC Name—
SMILESO=S(=O)(OCc1ccccc1)c1cccc2ccccc12.[Sn]
InChIInChI=1S/C17H14O3S.Sn/c18-21(19,20-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17;/h1-12H,13H2;
InChIKeyBNDJGOJABMPHPB-UHFFFAOYSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze CID 175921025 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

naphthalene;naphthalen-1-ylsulfonyloxymethyl naphthalene-1-sulfonate
CID 175041270
benzyl 1-formylnaphthalene-2-sulfonate
CID 87370141
barium(2+);hydride;naphthalen-1-ylsulfonyloxymethyl naphthalene-1-sulfonate
CID 174997305
calcium;sodium;carboxy naphthalene-1-sulfonate;hydride
CID 175313978
CID 57352872
CID 57352872
calcium;decyl naphthalene-1-sulfonate;hydride
CID 175405341
calcium;dodecyl naphthalene-1-sulfonate;hydride
CID 173445411
tert-butyl naphthalene-1-sulfonate
CID 22062611
naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate
CID 174434530
formaldehyde;methyl naphthalene-1-sulfonate
CID 87369958
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
calcium;sodium;hydride;nonadecyl naphthalene-1-sulfonate
CID 174802695

Frequently Asked Questions

What is the IUPAC name of CID 175921025?
The IUPAC name of CID 175921025 (CID 175921025) is not available.
What is the SMILES notation for CID 175921025?
The canonical SMILES for CID 175921025 is O=S(=O)(OCc1ccccc1)c1cccc2ccccc12.[Sn].
What is the InChIKey of CID 175921025?
The InChIKey is BNDJGOJABMPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3S.Sn/c18-21(19,20-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17;/h1-12H,13H2;.
What are the key properties of CID 175921025?
CID 175921025 has a molecular weight of 417.07 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175921025 is sourced from PubChem (CID 175921025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).