N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide

C23H23BrN2O3S — CID 1261012

IUPACN-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(Br)cc23)c2ccccc12
InChIInChI=1S/C23H23BrN2O3S/c1-3-29-22-10-11-23(19-7-5-4-6-18(19)22)30(27,28)25-13-12-17-15(2)26-21-9-8-16(24)14-20(17)21/h4-11,14,25-26H,3,12-13H2,1-2H3
InChIKeyGWUNVWOVTXUGSL-UHFFFAOYSA-N
MW487.42 g/mol
LogP5.31
Rot. Bonds7

About N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide

N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 1261012) has the molecular formula C23H23BrN2O3S and a molecular weight of 487.42 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
PubChem CID1261012
Molecular FormulaC23H23BrN2O3S
Molecular Weight487.42 g/mol
Exact Mass486.06
IUPAC NameN-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(Br)cc23)c2ccccc12
InChIInChI=1S/C23H23BrN2O3S/c1-3-29-22-10-11-23(19-7-5-4-6-18(19)22)30(27,28)25-13-12-17-15(2)26-21-9-8-16(24)14-20(17)21/h4-11,14,25-26H,3,12-13H2,1-2H3
InChIKeyGWUNVWOVTXUGSL-UHFFFAOYSA-N
XLogP5.31
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.42
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-tert-butylbenzenesulfonamide
CID 1260202
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113086252
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2239852
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113085965
N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
CID 25252533

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide (CID 1261012) is N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(Br)cc23)c2ccccc12.
What is the InChIKey of N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is GWUNVWOVTXUGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3S/c1-3-29-22-10-11-23(19-7-5-4-6-18(19)22)30(27,28)25-13-12-17-15(2)26-21-9-8-16(24)14-20(17)21/h4-11,14,25-26H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 487.42 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 1261012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).