4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide

C18H24N2O3S — CID 120722933

IUPAC4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CNCCC2C)c2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-3-23-17-8-9-18(15-7-5-4-6-14(15)17)24(21,22)20-16-12-19-11-10-13(16)2/h4-9,13,16,19-20H,3,10-12H2,1-2H3
InChIKeySDWURRPTYOKOJL-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.51
Rot. Bonds5

About 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide

4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide (PubChem CID 120722933) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide
PubChem CID120722933
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CNCCC2C)c2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-3-23-17-8-9-18(15-7-5-4-6-14(15)17)24(21,22)20-16-12-19-11-10-13(16)2/h4-9,13,16,19-20H,3,10-12H2,1-2H3
InChIKeySDWURRPTYOKOJL-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide?
The IUPAC name of 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide (CID 120722933) is 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NC2CNCCC2C)c2ccccc12.
What is the InChIKey of 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide?
The InChIKey is SDWURRPTYOKOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-23-17-8-9-18(15-7-5-4-6-14(15)17)24(21,22)20-16-12-19-11-10-13(16)2/h4-9,13,16,19-20H,3,10-12H2,1-2H3.
What are the key properties of 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide?
4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 120722933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).