4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide

C18H18N2O3S — CID 1073731

IUPAC4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-10-11-17(15-9-5-4-8-14(15)16)24(21,22)20-18-13(2)7-6-12-19-18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyIJQVLMCYHBBANM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.74
Rot. Bonds5

About 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide

4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide (PubChem CID 1073731) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide
PubChem CID1073731
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-10-11-17(15-9-5-4-8-14(15)16)24(21,22)20-18-13(2)7-6-12-19-18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyIJQVLMCYHBBANM-UHFFFAOYSA-N
XLogP3.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide (CID 1073731) is 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12.
What is the InChIKey of 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
The InChIKey is IJQVLMCYHBBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-16-10-11-17(15-9-5-4-8-14(15)16)24(21,22)20-18-13(2)7-6-12-19-18/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 1073731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).