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

C26H28N2O2S — CID 24825386

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C26H28N2O2S/c1-19(2)17-20-7-9-21(10-8-20)22-11-13-24(14-12-22)31(29,30)28-16-15-23-18-27-26-6-4-3-5-25(23)26/h3-14,18-19,27-28H,15-17H2,1-2H3
InChIKeyRICADIWRCNZABV-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.55
Rot. Bonds8

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

N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 24825386) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID24825386
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C26H28N2O2S/c1-19(2)17-20-7-9-21(10-8-20)22-11-13-24(14-12-22)31(29,30)28-16-15-23-18-27-26-6-4-3-5-25(23)26/h3-14,18-19,27-28H,15-17H2,1-2H3
InChIKeyRICADIWRCNZABV-UHFFFAOYSA-N
XLogP5.55
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.55
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-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 24825386) is N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide is CC(C)Cc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is RICADIWRCNZABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-19(2)17-20-7-9-21(10-8-20)22-11-13-24(14-12-22)31(29,30)28-16-15-23-18-27-26-6-4-3-5-25(23)26/h3-14,18-19,27-28H,15-17H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 432.59 g/mol, XLogP of 5.55, 8 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-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24825386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).