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

C18H20N2O3S — CID 681823

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C18H20N2O3S/c1-13-3-6-16(7-4-13)24(21,22)20-10-9-14-12-19-18-8-5-15(23-2)11-17(14)18/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyOKBTYZLPIFLPBD-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.01
Rot. Bonds6

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

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 681823) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID681823
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C18H20N2O3S/c1-13-3-6-16(7-4-13)24(21,22)20-10-9-14-12-19-18-8-5-15(23-2)11-17(14)18/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKeyOKBTYZLPIFLPBD-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 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide (CID 681823) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide is COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is OKBTYZLPIFLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-3-6-16(7-4-13)24(21,22)20-10-9-14-12-19-18-8-5-15(23-2)11-17(14)18/h3-8,11-12,19-20H,9-10H2,1-2H3.
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide 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 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 681823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).