N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide

C20H24N2O5S — CID 71151728

IUPACN-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CN(CCOc3cccc4c3OCCO4)C2)c1
InChIInChI=1S/C20H24N2O5S/c1-15-4-2-5-17(12-15)28(23,24)21-16-13-22(14-16)8-9-25-18-6-3-7-19-20(18)27-11-10-26-19/h2-7,12,16,21H,8-11,13-14H2,1H3
InChIKeySMLKOUQQHUUQDY-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.81
Rot. Bonds7

About N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide

N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide (PubChem CID 71151728) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide
PubChem CID71151728
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CN(CCOc3cccc4c3OCCO4)C2)c1
InChIInChI=1S/C20H24N2O5S/c1-15-4-2-5-17(12-15)28(23,24)21-16-13-22(14-16)8-9-25-18-6-3-7-19-20(18)27-11-10-26-19/h2-7,12,16,21H,8-11,13-14H2,1H3
InChIKeySMLKOUQQHUUQDY-UHFFFAOYSA-N
XLogP1.81
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide 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

4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide
CID 71151710
N-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide
CID 71151397
3-fluoro-N-[1-[2-(2,3,7,8-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide
CID 140641197
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl methanesulfonate
CID 87870295
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
CID 110638281
N-[1-[2-(2,3,7,8-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]naphthalene-2-sulfonamide
CID 140641191
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 37219437
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 48946307
N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
CID 6736919
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;3-methylbenzenesulfonic acid
CID 87756744

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide (CID 71151728) is N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CN(CCOc3cccc4c3OCCO4)C2)c1.
What is the InChIKey of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide?
The InChIKey is SMLKOUQQHUUQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15-4-2-5-17(12-15)28(23,24)21-16-13-22(14-16)8-9-25-18-6-3-7-19-20(18)27-11-10-26-19/h2-7,12,16,21H,8-11,13-14H2,1H3.
What are the key properties of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide?
N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 71151728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).