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

C19H22N2O2S — CID 24825379

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N2O2S/c1-2-5-15-8-10-17(11-9-15)24(22,23)21-13-12-16-14-20-19-7-4-3-6-18(16)19/h3-4,6-11,14,20-21H,2,5,12-13H2,1H3
InChIKeyDHHUHVGQVFUMSC-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.64
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide (PubChem CID 24825379) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide
PubChem CID24825379
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N2O2S/c1-2-5-15-8-10-17(11-9-15)24(22,23)21-13-12-16-14-20-19-7-4-3-6-18(16)19/h3-4,6-11,14,20-21H,2,5,12-13H2,1H3
InChIKeyDHHUHVGQVFUMSC-UHFFFAOYSA-N
XLogP3.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide (CID 24825379) is N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide?
The InChIKey is DHHUHVGQVFUMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-5-15-8-10-17(11-9-15)24(22,23)21-13-12-16-14-20-19-7-4-3-6-18(16)19/h3-4,6-11,14,20-21H,2,5,12-13H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 24825379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).