N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide

C25H26N2O2S — CID 24825384

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-18(2)19-7-9-20(10-8-19)21-11-13-23(14-12-21)30(28,29)27-16-15-22-17-26-25-6-4-3-5-24(22)25/h3-14,17-18,26-27H,15-16H2,1-2H3
InChIKeyXIQQZRCWOSRXEN-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.48
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 24825384) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID24825384
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-18(2)19-7-9-20(10-8-19)21-11-13-23(14-12-21)30(28,29)27-16-15-22-17-26-25-6-4-3-5-24(22)25/h3-14,17-18,26-27H,15-16H2,1-2H3
InChIKeyXIQQZRCWOSRXEN-UHFFFAOYSA-N
XLogP5.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide (CID 24825384) is N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is XIQQZRCWOSRXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-18(2)19-7-9-20(10-8-19)21-11-13-23(14-12-21)30(28,29)27-16-15-22-17-26-25-6-4-3-5-24(22)25/h3-14,17-18,26-27H,15-16H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 5.48, 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-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 24825384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).