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

C20H16ClNO4S — CID 2292448

IUPACN-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H16ClNO4S/c21-17-6-2-4-8-20(17)25-12-11-22-27(23,24)14-9-10-19-16(13-14)15-5-1-3-7-18(15)26-19/h1-10,13,22H,11-12H2
InChIKeyTUTYMJUZQKHXHF-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.60
Rot. Bonds6

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

N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide (PubChem CID 2292448) has the molecular formula C20H16ClNO4S and a molecular weight of 401.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide
PubChem CID2292448
Molecular FormulaC20H16ClNO4S
Molecular Weight401.87 g/mol
Exact Mass401.05
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H16ClNO4S/c21-17-6-2-4-8-20(17)25-12-11-22-27(23,24)14-9-10-19-16(13-14)15-5-1-3-7-18(15)26-19/h1-10,13,22H,11-12H2
InChIKeyTUTYMJUZQKHXHF-UHFFFAOYSA-N
XLogP4.60
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide (CID 2292448) is N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide is O=S(=O)(NCCOc1ccccc1Cl)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide?
The InChIKey is TUTYMJUZQKHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4S/c21-17-6-2-4-8-20(17)25-12-11-22-27(23,24)14-9-10-19-16(13-14)15-5-1-3-7-18(15)26-19/h1-10,13,22H,11-12H2.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide?
N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide has a molecular weight of 401.87 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 2292448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).