4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide

C18H20N2O3S — CID 3161287

IUPAC4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-3-8-18-17(11-13)14(12-19-18)9-10-20-24(21,22)16-6-4-15(23-2)5-7-16/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyCVRNEPLQYXBAQS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.01
Rot. Bonds6

About 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 3161287) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID3161287
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-3-8-18-17(11-13)14(12-19-18)9-10-20-24(21,22)16-6-4-15(23-2)5-7-16/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyCVRNEPLQYXBAQS-UHFFFAOYSA-N
XLogP3.01
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 3161287) is 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is CVRNEPLQYXBAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-3-8-18-17(11-13)14(12-19-18)9-10-20-24(21,22)16-6-4-15(23-2)5-7-16/h3-8,11-12,19-20H,9-10H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3161287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).