N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide

C21H19NO5S — CID 2059917

IUPACN-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C21H19NO5S/c1-25-15-6-8-16(9-7-15)26-13-12-22-28(23,24)17-10-11-21-19(14-17)18-4-2-3-5-20(18)27-21/h2-11,14,22H,12-13H2,1H3
InChIKeyVXNFDFZVVVGMQO-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide

N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide (PubChem CID 2059917) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
PubChem CID2059917
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C21H19NO5S/c1-25-15-6-8-16(9-7-15)26-13-12-22-28(23,24)17-10-11-21-19(14-17)18-4-2-3-5-20(18)27-21/h2-11,14,22H,12-13H2,1H3
InChIKeyVXNFDFZVVVGMQO-UHFFFAOYSA-N
XLogP3.95
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide (CID 2059917) is N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide is COc1ccc(OCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
The InChIKey is VXNFDFZVVVGMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-25-15-6-8-16(9-7-15)26-13-12-22-28(23,24)17-10-11-21-19(14-17)18-4-2-3-5-20(18)27-21/h2-11,14,22H,12-13H2,1H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide has a molecular weight of 397.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 2059917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).