(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C28H26FN3O5S — CID 58613889

About (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613889) has the molecular formula C28H26FN3O5S and a molecular weight of 535.60 g/mol. Its IUPAC name is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
• PubChem CID: 58613889
• Molecular Formula: C28H26FN3O5S
• Molecular Weight: 535.60 g/mol
• Exact Mass: 535.16
• IUPAC Name: (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
• SMILES: O=C(/C=C/c1ccc2c(c1)CCC2N(CCc1c[nH]c2cc(F)ccc12)S(=O)(=O)c1ccc(O)cc1)NO
• InChI: InChI=1S/C28H26FN3O5S/c29-21-4-10-24-20(17-30-26(24)16-21)13-14-32(38(36,37)23-7-5-22(33)6-8-23)27-11-3-19-15-18(1-9-25(19)27)2-12-28(34)31-35/h1-2,4-10,12,15-17,27,30,33,35H,3,11,13-14H2,(H,31,34)/b12-2+
• InChIKey: QOLPUYXOSDNZMG-SWGQDTFXSA-N
• XLogP: 4.45
• TPSA: 122.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.60
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?

The IUPAC name of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613889) is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

What is the SMILES notation for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?

The canonical SMILES for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2N(CCc1c[nH]c2cc(F)ccc12)S(=O)(=O)c1ccc(O)cc1)NO.

What is the InChIKey of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?

The InChIKey is QOLPUYXOSDNZMG-SWGQDTFXSA-N. The full InChI is InChI=1S/C28H26FN3O5S/c29-21-4-10-24-20(17-30-26(24)16-21)13-14-32(38(36,37)23-7-5-22(33)6-8-23)27-11-3-19-15-18(1-9-25(19)27)2-12-28(34)31-35/h1-2,4-10,12,15-17,27,30,33,35H,3,11,13-14H2,(H,31,34)/b12-2+.

What are the key properties of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?

(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 535.60 g/mol, XLogP of 4.45, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(4-hydroxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).