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

C30H31N3O2S — CID 24825410

IUPAC4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cnc4ccccc4c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C30H31N3O2S/c1-2-3-4-9-22-14-16-25(17-15-22)36(34,35)32-19-18-27-26-11-6-8-13-29(26)33-30(27)24-20-23-10-5-7-12-28(23)31-21-24/h5-8,10-17,20-21,32-33H,2-4,9,18-19H2,1H3
InChIKeyKOLCYOVBVGKSOC-UHFFFAOYSA-N
MW497.66 g/mol
LogP6.64
Rot. Bonds10

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

4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24825410) has the molecular formula C30H31N3O2S and a molecular weight of 497.66 g/mol. Its IUPAC name is 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID24825410
Molecular FormulaC30H31N3O2S
Molecular Weight497.66 g/mol
Exact Mass497.21
IUPAC Name4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cnc4ccccc4c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C30H31N3O2S/c1-2-3-4-9-22-14-16-25(17-15-22)36(34,35)32-19-18-27-26-11-6-8-13-29(26)33-30(27)24-20-23-10-5-7-12-28(23)31-21-24/h5-8,10-17,20-21,32-33H,2-4,9,18-19H2,1H3
InChIKeyKOLCYOVBVGKSOC-UHFFFAOYSA-N
XLogP6.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.66
LogP ≤ 56.64
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 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 24825410) is 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cnc4ccccc4c3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KOLCYOVBVGKSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2S/c1-2-3-4-9-22-14-16-25(17-15-22)36(34,35)32-19-18-27-26-11-6-8-13-29(26)33-30(27)24-20-23-10-5-7-12-28(23)31-21-24/h5-8,10-17,20-21,32-33H,2-4,9,18-19H2,1H3.
What are the key properties of 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide?
4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 497.66 g/mol, XLogP of 6.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-(2-quinolin-3-yl-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24825410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).