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

C26H28N2O2S — CID 24825387

IUPAC4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C26H28N2O2S/c1-26(2,3)22-12-8-19(9-13-22)20-10-14-23(15-11-20)31(29,30)28-17-16-21-18-27-25-7-5-4-6-24(21)25/h4-15,18,27-28H,16-17H2,1-3H3
InChIKeyKBABTVTZUXZWHW-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.65
Rot. Bonds6

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

4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24825387) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID24825387
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C26H28N2O2S/c1-26(2,3)22-12-8-19(9-13-22)20-10-14-23(15-11-20)31(29,30)28-17-16-21-18-27-25-7-5-4-6-24(21)25/h4-15,18,27-28H,16-17H2,1-3H3
InChIKeyKBABTVTZUXZWHW-UHFFFAOYSA-N
XLogP5.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 24825387) is 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is CC(C)(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KBABTVTZUXZWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-26(2,3)22-12-8-19(9-13-22)20-10-14-23(15-11-20)31(29,30)28-17-16-21-18-27-25-7-5-4-6-24(21)25/h4-15,18,27-28H,16-17H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 432.59 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24825387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).