N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide

C20H15NO5S — CID 2921682

IUPACN-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H15NO5S/c22-27(23,21-11-13-5-7-19-20(9-13)25-12-24-19)14-6-8-18-16(10-14)15-3-1-2-4-17(15)26-18/h1-10,21H,11-12H2
InChIKeyVNAZLGMGQYCRDV-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.79
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide

N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide (PubChem CID 2921682) has the molecular formula C20H15NO5S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide
PubChem CID2921682
Molecular FormulaC20H15NO5S
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H15NO5S/c22-27(23,21-11-13-5-7-19-20(9-13)25-12-24-19)14-6-8-18-16(10-14)15-3-1-2-4-17(15)26-18/h1-10,21H,11-12H2
InChIKeyVNAZLGMGQYCRDV-UHFFFAOYSA-N
XLogP3.79
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide (CID 2921682) is N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide is O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide?
The InChIKey is VNAZLGMGQYCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5S/c22-27(23,21-11-13-5-7-19-20(9-13)25-12-24-19)14-6-8-18-16(10-14)15-3-1-2-4-17(15)26-18/h1-10,21H,11-12H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide has a molecular weight of 381.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)dibenzofuran-2-sulfonamide is sourced from PubChem (CID 2921682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).