5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C25H23ClN2O4S — CID 71050406

About 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 71050406) has the molecular formula C25H23ClN2O4S and a molecular weight of 482.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
• PubChem CID: 71050406
• Molecular Formula: C25H23ClN2O4S
• Molecular Weight: 482.99 g/mol
• Exact Mass: 482.11
• IUPAC Name: 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
• SMILES: O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)cc2c1OCC2
• InChI: InChI=1S/C25H23ClN2O4S/c26-20-7-5-16(6-8-20)18-11-17-9-10-32-25(17)24(13-18)33(30,31)28-21(15-29)12-19-14-27-23-4-2-1-3-22(19)23/h1-8,11,13-14,21,27-29H,9-10,12,15H2/t21-/m1/s1
• InChIKey: MURIOCOBXZLQKS-OAQYLSRUSA-N
• XLogP: 4.31
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.99
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 71050406) is 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide is O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)cc2c1OCC2.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?

The InChIKey is MURIOCOBXZLQKS-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23ClN2O4S/c26-20-7-5-16(6-8-20)18-11-17-9-10-32-25(17)24(13-18)33(30,31)28-21(15-29)12-19-14-27-23-4-2-1-3-22(19)23/h1-8,11,13-14,21,27-29H,9-10,12,15H2/t21-/m1/s1.

What are the key properties of 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?

5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 482.99 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 71050406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).