4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide

C₁₂H₁₆Cl₂N₂O₂S — CID 43256833

About 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide

4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide (PubChem CID 43256833) has the molecular formula C₁₂H₁₆Cl₂N₂O₂S and a molecular weight of 323.25 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
• PubChem CID: 43256833
• Molecular Formula: C₁₂H₁₆Cl₂N₂O₂S
• Molecular Weight: 323.25 g/mol
• Exact Mass: 322.03
• IUPAC Name: 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
• SMILES: Nc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)c(Cl)c1
• InChI: InChI=1S/C12H16Cl2N2O2S/c13-10-6-8(15)7-11(14)12(10)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2
• InChIKey: WJEONTHYUJZZTE-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.25
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?

The IUPAC name of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide (CID 43256833) is 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide.

What is the SMILES notation for 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?

The canonical SMILES for 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)c(Cl)c1.

What is the InChIKey of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?

The InChIKey is WJEONTHYUJZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c13-10-6-8(15)7-11(14)12(10)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2.

What are the key properties of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?

4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 43256833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43256833 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.