N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide

C31H26N2O3S — CID 24825408

IUPACN-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H26N2O3S/c34-37(35,25-18-16-23(17-19-25)22-9-2-1-3-10-22)32-20-8-13-27-26-12-5-6-14-28(26)33-31(27)30-21-24-11-4-7-15-29(24)36-30/h1-7,9-12,14-19,21,32-33H,8,13,20H2
InChIKeyQCRBXWBUEHPHSF-UHFFFAOYSA-N
MW506.63 g/mol
LogP7.16
Rot. Bonds8

About N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide

N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide (PubChem CID 24825408) has the molecular formula C31H26N2O3S and a molecular weight of 506.63 g/mol. Its IUPAC name is N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide
PubChem CID24825408
Molecular FormulaC31H26N2O3S
Molecular Weight506.63 g/mol
Exact Mass506.17
IUPAC NameN-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H26N2O3S/c34-37(35,25-18-16-23(17-19-25)22-9-2-1-3-10-22)32-20-8-13-27-26-12-5-6-14-28(26)33-31(27)30-21-24-11-4-7-15-29(24)36-30/h1-7,9-12,14-19,21,32-33H,8,13,20H2
InChIKeyQCRBXWBUEHPHSF-UHFFFAOYSA-N
XLogP7.16
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.63
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide (CID 24825408) is N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide?
The InChIKey is QCRBXWBUEHPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O3S/c34-37(35,25-18-16-23(17-19-25)22-9-2-1-3-10-22)32-20-8-13-27-26-12-5-6-14-28(26)33-31(27)30-21-24-11-4-7-15-29(24)36-30/h1-7,9-12,14-19,21,32-33H,8,13,20H2.
What are the key properties of N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide?
N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide has a molecular weight of 506.63 g/mol, XLogP of 7.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 24825408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).