4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide

C13H15NO4S — CID 741466

IUPAC4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H15NO4S/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h3-9,14H,2,10H2,1H3
InChIKeyDNIOEVNUIXCPPD-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.16
Rot. Bonds6

About 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide

4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 741466) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID741466
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H15NO4S/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h3-9,14H,2,10H2,1H3
InChIKeyDNIOEVNUIXCPPD-UHFFFAOYSA-N
XLogP2.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.16
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)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide (CID 741466) is 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is DNIOEVNUIXCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-2-17-11-5-7-13(8-6-11)19(15,16)14-10-12-4-3-9-18-12/h3-9,14H,2,10H2,1H3.
What are the key properties of 4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide?
4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 281.33 g/mol, XLogP of 2.16, 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)benzenesulfonamide is sourced from PubChem (CID 741466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).