4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide

C27H30N2O2S — CID 24825402

IUPAC4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H30N2O2S/c1-2-3-5-10-21-15-17-23(18-16-21)32(30,31)28-20-19-25-24-13-8-9-14-26(24)29-27(25)22-11-6-4-7-12-22/h4,6-9,11-18,28-29H,2-3,5,10,19-20H2,1H3
InChIKeyRSQSXYQWUKFWHP-UHFFFAOYSA-N
MW446.62 g/mol
LogP6.09
Rot. Bonds10

About 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide

4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24825402) has the molecular formula C27H30N2O2S and a molecular weight of 446.62 g/mol. Its IUPAC name is 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID24825402
Molecular FormulaC27H30N2O2S
Molecular Weight446.62 g/mol
Exact Mass446.20
IUPAC Name4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H30N2O2S/c1-2-3-5-10-21-15-17-23(18-16-21)32(30,31)28-20-19-25-24-13-8-9-14-26(24)29-27(25)22-11-6-4-7-12-22/h4,6-9,11-18,28-29H,2-3,5,10,19-20H2,1H3
InChIKeyRSQSXYQWUKFWHP-UHFFFAOYSA-N
XLogP6.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 24825402) is 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is RSQSXYQWUKFWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2S/c1-2-3-5-10-21-15-17-23(18-16-21)32(30,31)28-20-19-25-24-13-8-9-14-26(24)29-27(25)22-11-6-4-7-12-22/h4,6-9,11-18,28-29H,2-3,5,10,19-20H2,1H3.
What are the key properties of 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 446.62 g/mol, XLogP of 6.09, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24825402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).