N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide

C22H28N2O2S — CID 24825393

IUPACN-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H28N2O2S/c1-2-3-4-8-18-12-14-20(15-13-18)27(25,26)24-16-7-9-19-17-23-22-11-6-5-10-21(19)22/h5-6,10-15,17,23-24H,2-4,7-9,16H2,1H3
InChIKeyIWUZBEMTCWTZBF-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.81
Rot. Bonds10

About N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide

N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide (PubChem CID 24825393) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide
PubChem CID24825393
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H28N2O2S/c1-2-3-4-8-18-12-14-20(15-13-18)27(25,26)24-16-7-9-19-17-23-22-11-6-5-10-21(19)22/h5-6,10-15,17,23-24H,2-4,7-9,16H2,1H3
InChIKeyIWUZBEMTCWTZBF-UHFFFAOYSA-N
XLogP4.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.81
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 N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide (CID 24825393) is N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide?
The InChIKey is IWUZBEMTCWTZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-2-3-4-8-18-12-14-20(15-13-18)27(25,26)24-16-7-9-19-17-23-22-11-6-5-10-21(19)22/h5-6,10-15,17,23-24H,2-4,7-9,16H2,1H3.
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide?
N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide has a molecular weight of 384.55 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).