N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide

C33H32N2O3S — CID 24825409

IUPACN-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccc4oc5ccccc5c4c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C33H32N2O3S/c1-2-3-4-9-23-14-17-25(18-15-23)39(36,37)34-21-20-28-26-10-5-7-12-30(26)35-33(28)24-16-19-32-29(22-24)27-11-6-8-13-31(27)38-32/h5-8,10-19,22,34-35H,2-4,9,20-21H2,1H3
InChIKeyOWQHJRZJVMUGIM-UHFFFAOYSA-N
MW536.70 g/mol
LogP7.99
Rot. Bonds10

About N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide

N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825409) has the molecular formula C33H32N2O3S and a molecular weight of 536.70 g/mol. Its IUPAC name is N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825409
Molecular FormulaC33H32N2O3S
Molecular Weight536.70 g/mol
Exact Mass536.21
IUPAC NameN-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccc4oc5ccccc5c4c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C33H32N2O3S/c1-2-3-4-9-23-14-17-25(18-15-23)39(36,37)34-21-20-28-26-10-5-7-12-30(26)35-33(28)24-16-19-32-29(22-24)27-11-6-8-13-31(27)38-32/h5-8,10-19,22,34-35H,2-4,9,20-21H2,1H3
InChIKeyOWQHJRZJVMUGIM-UHFFFAOYSA-N
XLogP7.99
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide (CID 24825409) is N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccc4oc5ccccc5c4c3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is OWQHJRZJVMUGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O3S/c1-2-3-4-9-23-14-17-25(18-15-23)39(36,37)34-21-20-28-26-10-5-7-12-30(26)35-33(28)24-16-19-32-29(22-24)27-11-6-8-13-31(27)38-32/h5-8,10-19,22,34-35H,2-4,9,20-21H2,1H3.
What are the key properties of N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide?
N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 536.70 g/mol, XLogP of 7.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-dibenzofuran-2-yl-1H-indol-3-yl)ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).