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

C17H17NO4S — CID 684715

IUPAC4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C17H17NO4S/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/h3-11,18H,2,12H2,1H3
InChIKeyJDRLHXGEORDYKF-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.31
Rot. Bonds6

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

4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 684715) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide
PubChem CID684715
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C17H17NO4S/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/h3-11,18H,2,12H2,1H3
InChIKeyJDRLHXGEORDYKF-UHFFFAOYSA-N
XLogP3.31
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide (CID 684715) is 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is JDRLHXGEORDYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/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/h3-11,18H,2,12H2,1H3.
What are the key properties of 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide?
4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 331.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(furan-2-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 684715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).