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

C24H19BrN2O3S — CID 24825413

IUPACN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide
SMILESO=S(=O)(NCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C24H19BrN2O3S/c25-17-9-11-18(12-10-17)31(28,29)26-14-13-20-19-6-2-3-7-21(19)27-24(20)23-15-16-5-1-4-8-22(16)30-23/h1-12,15,26-27H,13-14H2
InChIKeyJAFPRWOLDWITNS-UHFFFAOYSA-N
MW495.40 g/mol
LogP5.86
Rot. Bonds6

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

N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide (PubChem CID 24825413) has the molecular formula C24H19BrN2O3S and a molecular weight of 495.40 g/mol. Its IUPAC name is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide
PubChem CID24825413
Molecular FormulaC24H19BrN2O3S
Molecular Weight495.40 g/mol
Exact Mass494.03
IUPAC NameN-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide
SMILESO=S(=O)(NCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C24H19BrN2O3S/c25-17-9-11-18(12-10-17)31(28,29)26-14-13-20-19-6-2-3-7-21(19)27-24(20)23-15-16-5-1-4-8-22(16)30-23/h1-12,15,26-27H,13-14H2
InChIKeyJAFPRWOLDWITNS-UHFFFAOYSA-N
XLogP5.86
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.40
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromobenzenesulfonamide?
The IUPAC name of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide (CID 24825413) is N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide is O=S(=O)(NCCc1c(-c2cc3ccccc3o2)[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide?
The InChIKey is JAFPRWOLDWITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O3S/c25-17-9-11-18(12-10-17)31(28,29)26-14-13-20-19-6-2-3-7-21(19)27-24(20)23-15-16-5-1-4-8-22(16)30-23/h1-12,15,26-27H,13-14H2.
What are the key properties of N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide?
N-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl]-4-bromobenzenesulfonamide has a molecular weight of 495.40 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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-bromobenzenesulfonamide is sourced from PubChem (CID 24825413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).