4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

C21H20Cl2N2O2S — CID 17241440

About 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (PubChem CID 17241440) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• PubChem CID: 17241440
• Molecular Formula: C21H20Cl2N2O2S
• Molecular Weight: 435.38 g/mol
• Exact Mass: 434.06
• IUPAC Name: 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• SMILES: C=CCNS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(Cl)cc1Cl)N2
• InChI: InChI=1S/C21H20Cl2N2O2S/c1-2-10-24-28(26,27)14-7-9-20-18(12-14)15-4-3-5-16(15)21(25-20)17-8-6-13(22)11-19(17)23/h2-4,6-9,11-12,15-16,21,24-25H,1,5,10H2
• InChIKey: HTUGUMJAIGFAJZ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.38
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

The IUPAC name of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (CID 17241440) is 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

The canonical SMILES for 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is C=CCNS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(Cl)cc1Cl)N2.

What is the InChIKey of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

The InChIKey is HTUGUMJAIGFAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-2-10-24-28(26,27)14-7-9-20-18(12-14)15-4-3-5-16(15)21(25-20)17-8-6-13(22)11-19(17)23/h2-4,6-9,11-12,15-16,21,24-25H,1,5,10H2.

What are the key properties of 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide has a molecular weight of 435.38 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is sourced from PubChem (CID 17241440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).