4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide

C17H21NO4S — CID 3148555

IUPAC4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCCO2)c2ccccc12
InChIInChI=1S/C17H21NO4S/c1-2-21-16-9-10-17(15-8-4-3-7-14(15)16)23(19,20)18-12-13-6-5-11-22-13/h3-4,7-10,13,18H,2,5-6,11-12H2,1H3
InChIKeyHUMCGPISPVSXMG-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.70
Rot. Bonds6

About 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide

4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 3148555) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
PubChem CID3148555
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCCO2)c2ccccc12
InChIInChI=1S/C17H21NO4S/c1-2-21-16-9-10-17(15-8-4-3-7-14(15)16)23(19,20)18-12-13-6-5-11-22-13/h3-4,7-10,13,18H,2,5-6,11-12H2,1H3
InChIKeyHUMCGPISPVSXMG-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide (CID 3148555) is 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCC2CCCO2)c2ccccc12.
What is the InChIKey of 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is HUMCGPISPVSXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-2-21-16-9-10-17(15-8-4-3-7-14(15)16)23(19,20)18-12-13-6-5-11-22-13/h3-4,7-10,13,18H,2,5-6,11-12H2,1H3.
What are the key properties of 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide?
4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3148555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).