N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide

C29H23N3O3S — CID 24825414

IUPACN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C29H23N3O3S/c33-36(34,23-11-9-20(10-12-23)21-13-16-30-17-14-21)31-18-15-25-24-6-2-3-7-26(24)32-29(25)28-19-22-5-1-4-8-27(22)35-28/h1-14,16-17,19,31-32H,15,18H2
InChIKeyMVZLOHBQRNMNNQ-UHFFFAOYSA-N
MW493.59 g/mol
LogP6.16
Rot. Bonds7

About N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide

N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide (PubChem CID 24825414) has the molecular formula C29H23N3O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide
PubChem CID24825414
Molecular FormulaC29H23N3O3S
Molecular Weight493.59 g/mol
Exact Mass493.15
IUPAC NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C29H23N3O3S/c33-36(34,23-11-9-20(10-12-23)21-13-16-30-17-14-21)31-18-15-25-24-6-2-3-7-26(24)32-29(25)28-19-22-5-1-4-8-27(22)35-28/h1-14,16-17,19,31-32H,15,18H2
InChIKeyMVZLOHBQRNMNNQ-UHFFFAOYSA-N
XLogP6.16
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide (CID 24825414) is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide is O=S(=O)(NCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide?
The InChIKey is MVZLOHBQRNMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3S/c33-36(34,23-11-9-20(10-12-23)21-13-16-30-17-14-21)31-18-15-25-24-6-2-3-7-26(24)32-29(25)28-19-22-5-1-4-8-27(22)35-28/h1-14,16-17,19,31-32H,15,18H2.
What are the key properties of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide?
N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 6.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 24825414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).