N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide

C28H24N4O6S — CID 42912359

About N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide

N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide (PubChem CID 42912359) has the molecular formula C28H24N4O6S and a molecular weight of 544.59 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide
• PubChem CID: 42912359
• Molecular Formula: C28H24N4O6S
• Molecular Weight: 544.59 g/mol
• Exact Mass: 544.14
• IUPAC Name: N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide
• SMILES: COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C1\CC(c2ccccc2)Oc2ccccc21
• InChI: InChI=1S/C28H24N4O6S/c1-37-26-14-8-6-12-22(26)31-39(35,36)28-17-20(32(33)34)15-16-23(28)29-30-24-18-27(19-9-3-2-4-10-19)38-25-13-7-5-11-21(24)25/h2-17,27,29,31H,18H2,1H3/b30-24+
• InChIKey: JYOFLZLSAHBBGN-BGABXYSRSA-N
• XLogP: 5.74
• TPSA: 132.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.59
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide?

The IUPAC name of N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide (CID 42912359) is N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide.

What is the SMILES notation for N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide?

The canonical SMILES for N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C1\CC(c2ccccc2)Oc2ccccc21.

What is the InChIKey of N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide?

The InChIKey is JYOFLZLSAHBBGN-BGABXYSRSA-N. The full InChI is InChI=1S/C28H24N4O6S/c1-37-26-14-8-6-12-22(26)31-39(35,36)28-17-20(32(33)34)15-16-23(28)29-30-24-18-27(19-9-3-2-4-10-19)38-25-13-7-5-11-21(24)25/h2-17,27,29,31H,18H2,1H3/b30-24+.

What are the key properties of N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide?

N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 544.59 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-5-nitro-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 42912359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).