13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C16H16ClN3O2S — CID 46884005

IUPAC13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cncnc1C2
InChIInChI=1S/C16H16ClN3O2S/c17-11-4-6-13(7-5-11)23(21,22)20-12-2-1-3-16(20)14-9-18-10-19-15(14)8-12/h4-7,9-10,12,16H,1-3,8H2
InChIKeyGWJSBEJWUGFZDM-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.97
Rot. Bonds2

About 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene

13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 46884005) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID46884005
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cncnc1C2
InChIInChI=1S/C16H16ClN3O2S/c17-11-4-6-13(7-5-11)23(21,22)20-12-2-1-3-16(20)14-9-18-10-19-15(14)8-12/h4-7,9-10,12,16H,1-3,8H2
InChIKeyGWJSBEJWUGFZDM-UHFFFAOYSA-N
XLogP2.97
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene 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 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 46884005) is 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene is O=S(=O)(c1ccc(Cl)cc1)N1C2CCCC1c1cncnc1C2.
What is the InChIKey of 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is GWJSBEJWUGFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-11-4-6-13(7-5-11)23(21,22)20-12-2-1-3-16(20)14-9-18-10-19-15(14)8-12/h4-7,9-10,12,16H,1-3,8H2.
What are the key properties of 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 349.84 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 46884005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).