4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide

C23H23FN2O3S — CID 1262284

IUPAC4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)c2ccccc12
InChIInChI=1S/C23H23FN2O3S/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
InChIKeyVTHAIQYYBMVLEX-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.69
Rot. Bonds7

About 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide

4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 1262284) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID1262284
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)c2ccccc12
InChIInChI=1S/C23H23FN2O3S/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
InChIKeyVTHAIQYYBMVLEX-UHFFFAOYSA-N
XLogP4.69
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide (CID 1262284) is 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)c2ccccc12.
What is the InChIKey of 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is VTHAIQYYBMVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/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 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 426.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 1262284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).