N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide

C19H22N2O2S — CID 5084819

IUPACN-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2ccc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-14-12-15(2)19(16(3)13-14)24(22,23)20-9-11-21-10-8-17-6-4-5-7-18(17)21/h4-8,10,12-13,20H,9,11H2,1-3H3
InChIKeyUBIQXUAVZWXDQK-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.55
Rot. Bonds5

About N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 5084819) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID5084819
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2ccc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-14-12-15(2)19(16(3)13-14)24(22,23)20-9-11-21-10-8-17-6-4-5-7-18(17)21/h4-8,10,12-13,20H,9,11H2,1-3H3
InChIKeyUBIQXUAVZWXDQK-UHFFFAOYSA-N
XLogP3.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide (CID 5084819) is N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCn2ccc3ccccc32)c(C)c1.
What is the InChIKey of N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is UBIQXUAVZWXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-12-15(2)19(16(3)13-14)24(22,23)20-9-11-21-10-8-17-6-4-5-7-18(17)21/h4-8,10,12-13,20H,9,11H2,1-3H3.
What are the key properties of N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 5084819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).