1,2-dihydroacenaphthylene-3-sulfonyl chloride

C12H9ClO2S — CID 121008066

IUPAC1,2-dihydroacenaphthylene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2cccc3c2c1CC3
InChIInChI=1S/C12H9ClO2S/c13-16(14,15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7H,4,6H2
InChIKeyUMQWXUXRGLGYAF-UHFFFAOYSA-N
MW252.72 g/mol
LogP2.87
Rot. Bonds1

About 1,2-dihydroacenaphthylene-3-sulfonyl chloride

1,2-dihydroacenaphthylene-3-sulfonyl chloride (PubChem CID 121008066) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene-3-sulfonyl chloride.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene-3-sulfonyl chloride
PubChem CID121008066
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name1,2-dihydroacenaphthylene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2cccc3c2c1CC3
InChIInChI=1S/C12H9ClO2S/c13-16(14,15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7H,4,6H2
InChIKeyUMQWXUXRGLGYAF-UHFFFAOYSA-N
XLogP2.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dihydroacenaphthylene-3-sulfonyl chloride 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

potassium 1,2-dihydroacenaphthylene-3-sulfonate
CID 146050724
N-(2-cyanophenyl)-1,2-dihydroacenaphthylene-3-sulfonamide
CID 8834385
1,2-dihydroacenaphthylene
CID 161018660
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide
CID 21210486
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
3,4-dihydro-1H-isochromene-5-sulfonyl chloride
CID 84696259
(2S)-2-(4-chloro-3-nitrophenyl)-3-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1,3-thiazolidine
CID 1118526
1,2-dihydroacenaphthylene;perylene
CID 157201241
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 30868129
pyrene-1-sulfonic acid;1,2,3,4-tetrahydrochrysene
CID 174280947
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 44826898

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene-3-sulfonyl chloride?
The IUPAC name of 1,2-dihydroacenaphthylene-3-sulfonyl chloride (CID 121008066) is 1,2-dihydroacenaphthylene-3-sulfonyl chloride.
What is the SMILES notation for 1,2-dihydroacenaphthylene-3-sulfonyl chloride?
The canonical SMILES for 1,2-dihydroacenaphthylene-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc2cccc3c2c1CC3.
What is the InChIKey of 1,2-dihydroacenaphthylene-3-sulfonyl chloride?
The InChIKey is UMQWXUXRGLGYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c13-16(14,15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7H,4,6H2.
What are the key properties of 1,2-dihydroacenaphthylene-3-sulfonyl chloride?
1,2-dihydroacenaphthylene-3-sulfonyl chloride has a molecular weight of 252.72 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene-3-sulfonyl chloride is sourced from PubChem (CID 121008066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).