N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide

C20H24FNO4S — CID 110312242

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1F)NCCCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24FNO4S/c21-18-7-2-1-6-17(18)10-14-27(23,24)22-11-4-3-5-16-8-9-19-20(15-16)26-13-12-25-19/h1-2,6-9,15,22H,3-5,10-14H2
InChIKeyJJLDCNPAAICZJZ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.08
Rot. Bonds9

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide (PubChem CID 110312242) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide
PubChem CID110312242
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1F)NCCCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24FNO4S/c21-18-7-2-1-6-17(18)10-14-27(23,24)22-11-4-3-5-16-8-9-19-20(15-16)26-13-12-25-19/h1-2,6-9,15,22H,3-5,10-14H2
InChIKeyJJLDCNPAAICZJZ-UHFFFAOYSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide
CID 110314204
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(3-methylphenyl)methanesulfonamide
CID 110314205
2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 113220739
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28617291
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110792439
2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide
CID 110310723
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-phenylethanesulfonamide
CID 110371439
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
CID 47371399
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(dimethylamino)-2-phenylacetamide
CID 110633667
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110606554
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide (CID 110312242) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide is O=S(=O)(CCc1ccccc1F)NCCCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide?
The InChIKey is JJLDCNPAAICZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c21-18-7-2-1-6-17(18)10-14-27(23,24)22-11-4-3-5-16-8-9-19-20(15-16)26-13-12-25-19/h1-2,6-9,15,22H,3-5,10-14H2.
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide has a molecular weight of 393.48 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-(2-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 110312242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).