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

C23H22N2O3S — CID 24825388

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-10-6-17(7-11-20)18-8-12-21(13-9-18)29(26,27)25-15-14-19-16-24-23-5-3-2-4-22(19)23/h2-13,16,24-25H,14-15H2,1H3
InChIKeyBNJNRMPSBIKAMA-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.36
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 24825388) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide
PubChem CID24825388
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-10-6-17(7-11-20)18-8-12-21(13-9-18)29(26,27)25-15-14-19-16-24-23-5-3-2-4-22(19)23/h2-13,16,24-25H,14-15H2,1H3
InChIKeyBNJNRMPSBIKAMA-UHFFFAOYSA-N
XLogP4.36
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide (CID 24825388) is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is BNJNRMPSBIKAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-28-20-10-6-17(7-11-20)18-8-12-21(13-9-18)29(26,27)25-15-14-19-16-24-23-5-3-2-4-22(19)23/h2-13,16,24-25H,14-15H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 24825388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).