N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide

C21H19NO4S — CID 2295500

IUPACN-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
SMILESCN(CCOc1ccccc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H19NO4S/c1-22(13-14-25-16-7-3-2-4-8-16)27(23,24)17-11-12-21-19(15-17)18-9-5-6-10-20(18)26-21/h2-12,15H,13-14H2,1H3
InChIKeyGZFMXVPDBWXSAP-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.29
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide

N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide (PubChem CID 2295500) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
PubChem CID2295500
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC NameN-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
SMILESCN(CCOc1ccccc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H19NO4S/c1-22(13-14-25-16-7-3-2-4-8-16)27(23,24)17-11-12-21-19(15-17)18-9-5-6-10-20(18)26-21/h2-12,15H,13-14H2,1H3
InChIKeyGZFMXVPDBWXSAP-UHFFFAOYSA-N
XLogP4.29
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide (CID 2295500) is N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide is CN(CCOc1ccccc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide?
The InChIKey is GZFMXVPDBWXSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-22(13-14-25-16-7-3-2-4-8-16)27(23,24)17-11-12-21-19(15-17)18-9-5-6-10-20(18)26-21/h2-12,15H,13-14H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide?
N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide has a molecular weight of 381.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide is sourced from PubChem (CID 2295500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).