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

C24H24N2O2S — CID 24825383

IUPAC4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-18-7-9-19(10-8-18)20-11-13-22(14-12-20)29(27,28)26-16-15-21-17-25-24-6-4-3-5-23(21)24/h3-14,17,25-26H,2,15-16H2,1H3
InChIKeyHNSUAUCSVGHXKG-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.92
Rot. Bonds7

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

4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24825383) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID24825383
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-18-7-9-19(10-8-18)20-11-13-22(14-12-20)29(27,28)26-16-15-21-17-25-24-6-4-3-5-23(21)24/h3-14,17,25-26H,2,15-16H2,1H3
InChIKeyHNSUAUCSVGHXKG-UHFFFAOYSA-N
XLogP4.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 24825383) is 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is CCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is HNSUAUCSVGHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-2-18-7-9-19(10-8-18)20-11-13-22(14-12-20)29(27,28)26-16-15-21-17-25-24-6-4-3-5-23(21)24/h3-14,17,25-26H,2,15-16H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 404.54 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24825383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).