2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide

C28H27N3O2S — CID 142050883

About 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide

2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide (PubChem CID 142050883) has the molecular formula C28H27N3O2S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide
• PubChem CID: 142050883
• Molecular Formula: C28H27N3O2S
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.18
• IUPAC Name: 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide
• SMILES: CC(C)=N/C(=C(\C)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc2ccccc2c1
• InChI: InChI=1S/C28H27N3O2S/c1-19(2)30-28(24-13-12-21-8-4-5-9-23(21)18-24)20(3)31-25-16-14-22(15-17-25)26-10-6-7-11-27(26)34(29,32)33/h4-18,31H,1-3H3,(H2,29,32,33)/b28-20+
• InChIKey: HMXQQXLNEYDASQ-VFCFBJKWSA-N
• XLogP: 6.44
• TPSA: 84.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide?

The IUPAC name of 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide (CID 142050883) is 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide.

What is the SMILES notation for 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide?

The canonical SMILES for 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide is CC(C)=N/C(=C(\C)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc2ccccc2c1.

What is the InChIKey of 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide?

The InChIKey is HMXQQXLNEYDASQ-VFCFBJKWSA-N. The full InChI is InChI=1S/C28H27N3O2S/c1-19(2)30-28(24-13-12-21-8-4-5-9-23(21)18-24)20(3)31-25-16-14-22(15-17-25)26-10-6-7-11-27(26)34(29,32)33/h4-18,31H,1-3H3,(H2,29,32,33)/b28-20+.

What are the key properties of 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide?

2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 469.61 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(E)-1-naphthalen-2-yl-1-(propan-2-ylideneamino)prop-1-en-2-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 142050883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).