2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium

C13H16N3O2S+ — CID 15474163

IUPAC2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium
SMILESCS(=O)(=O)N(c1ccccc1[N+]#N)C1C=CCCC1
InChIInChI=1S/C13H16N3O2S/c1-19(17,18)16(11-7-3-2-4-8-11)13-10-6-5-9-12(13)15-14/h3,5-7,9-11H,2,4,8H2,1H3/q+1
InChIKeyILAXWOBAQKGVIJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.05
Rot. Bonds3

About 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium

2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium (PubChem CID 15474163) has the molecular formula C13H16N3O2S+ and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium.

Molecular Properties

Compound Name2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium
PubChem CID15474163
Molecular FormulaC13H16N3O2S+
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium
SMILESCS(=O)(=O)N(c1ccccc1[N+]#N)C1C=CCCC1
InChIInChI=1S/C13H16N3O2S/c1-19(17,18)16(11-7-3-2-4-8-11)13-10-6-5-9-12(13)15-14/h3,5-7,9-11H,2,4,8H2,1H3/q+1
InChIKeyILAXWOBAQKGVIJ-UHFFFAOYSA-N
XLogP3.05
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium?
The IUPAC name of 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium (CID 15474163) is 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium.
What is the SMILES notation for 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium?
The canonical SMILES for 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium is CS(=O)(=O)N(c1ccccc1[N+]#N)C1C=CCCC1.
What is the InChIKey of 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium?
The InChIKey is ILAXWOBAQKGVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N3O2S/c1-19(17,18)16(11-7-3-2-4-8-11)13-10-6-5-9-12(13)15-14/h3,5-7,9-11H,2,4,8H2,1H3/q+1.
What are the key properties of 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium?
2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium has a molecular weight of 278.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-2-en-1-yl(methylsulfonyl)amino]benzenediazonium is sourced from PubChem (CID 15474163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).