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

C26H28N2O2S — CID 24825385

IUPAC4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C26H28N2O2S/c1-2-3-6-20-9-11-21(12-10-20)22-13-15-24(16-14-22)31(29,30)28-18-17-23-19-27-26-8-5-4-7-25(23)26/h4-5,7-16,19,27-28H,2-3,6,17-18H2,1H3
InChIKeyZIORSNPJGIWSFP-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.70
Rot. Bonds9

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

4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24825385) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID24825385
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C26H28N2O2S/c1-2-3-6-20-9-11-21(12-10-20)22-13-15-24(16-14-22)31(29,30)28-18-17-23-19-27-26-8-5-4-7-25(23)26/h4-5,7-16,19,27-28H,2-3,6,17-18H2,1H3
InChIKeyZIORSNPJGIWSFP-UHFFFAOYSA-N
XLogP5.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 24825385) is 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is CCCCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ZIORSNPJGIWSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-2-3-6-20-9-11-21(12-10-20)22-13-15-24(16-14-22)31(29,30)28-18-17-23-19-27-26-8-5-4-7-25(23)26/h4-5,7-16,19,27-28H,2-3,6,17-18H2,1H3.
What are the key properties of 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 432.59 g/mol, XLogP of 5.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24825385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).