N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide

C19H19ClN2O3S — CID 129345225

About N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide

N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide (PubChem CID 129345225) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
• PubChem CID: 129345225
• Molecular Formula: C19H19ClN2O3S
• Molecular Weight: 390.89 g/mol
• Exact Mass: 390.08
• IUPAC Name: N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1[C@H]2CC[C@H]1c1ccccc12
• InChI: InChI=1S/C19H19ClN2O3S/c1-12(21-26(24,25)14-8-6-13(20)7-9-14)19(23)22-17-10-11-18(22)16-5-3-2-4-15(16)17/h2-9,12,17-18,21H,10-11H2,1H3/t12-,17-,18-/m0/s1
• InChIKey: DJSVHUZQOKMYLC-IGNZVWTISA-N
• XLogP: 3.43
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.89
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?

The IUPAC name of N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide (CID 129345225) is N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide.

What is the SMILES notation for N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?

The canonical SMILES for N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1[C@H]2CC[C@H]1c1ccccc12.

What is the InChIKey of N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?

The InChIKey is DJSVHUZQOKMYLC-IGNZVWTISA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-12(21-26(24,25)14-8-6-13(20)7-9-14)19(23)22-17-10-11-18(22)16-5-3-2-4-15(16)17/h2-9,12,17-18,21H,10-11H2,1H3/t12-,17-,18-/m0/s1.

What are the key properties of N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide?

N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 129345225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).