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

C18H20N2O2S — CID 24825378

IUPAC4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H20N2O2S/c1-2-14-7-9-16(10-8-14)23(21,22)20-12-11-15-13-19-18-6-4-3-5-17(15)18/h3-10,13,19-20H,2,11-12H2,1H3
InChIKeyABRITLIVAGXION-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.25
Rot. Bonds6

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

4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24825378) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID24825378
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H20N2O2S/c1-2-14-7-9-16(10-8-14)23(21,22)20-12-11-15-13-19-18-6-4-3-5-17(15)18/h3-10,13,19-20H,2,11-12H2,1H3
InChIKeyABRITLIVAGXION-UHFFFAOYSA-N
XLogP3.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 24825378) is 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is ABRITLIVAGXION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-14-7-9-16(10-8-14)23(21,22)20-12-11-15-13-19-18-6-4-3-5-17(15)18/h3-10,13,19-20H,2,11-12H2,1H3.
What are the key properties of 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24825378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).