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

C21H19NO5S — CID 2296301

IUPACN-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESCOc1ccccc1OCCNS(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H19NO5S/c1-25-20-8-4-5-9-21(20)26-13-12-22-28(23,24)15-10-11-19-17(14-15)16-6-2-3-7-18(16)27-19/h2-11,14,22H,12-13H2,1H3
InChIKeyHZWMSIZOARFMSN-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.95
Rot. Bonds7

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

N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide (PubChem CID 2296301) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
PubChem CID2296301
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESCOc1ccccc1OCCNS(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H19NO5S/c1-25-20-8-4-5-9-21(20)26-13-12-22-28(23,24)15-10-11-19-17(14-15)16-6-2-3-7-18(16)27-19/h2-11,14,22H,12-13H2,1H3
InChIKeyHZWMSIZOARFMSN-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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Related Compounds

(2S)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263245
N-[(R)-1-Benzofuran-2-Yl(Phenyl)methyl]-3,4-Dihydro-2h-1,5-Benzodioxepine-7-Sulfonamide
CID 25956468
(2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263244
N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
CID 2059917
N-[1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16349380
N,N'-bis(tetrahydro-2-furanylmethyl)dibenzo[b,d]furan-2,8-disulfonamide
CID 2942509
N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]dibenzo[b,d]furan-2-sulfonamide
CID 11835767
4-(Dibenzo[b,d]furan-2-ylsulfonyl)morpholine
CID 559412
N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
CID 2295500
N-[2-(2-chlorophenoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2292448
Dibenzofuran-2-sulfonic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 2921682

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide (CID 2296301) is N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide is COc1ccccc1OCCNS(=O)(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
The InChIKey is HZWMSIZOARFMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-25-20-8-4-5-9-21(20)26-13-12-22-28(23,24)15-10-11-19-17(14-15)16-6-2-3-7-18(16)27-19/h2-11,14,22H,12-13H2,1H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide?
N-[2-(2-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-(2-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 2296301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).