N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide

C19H20N2O6S — CID 1107128

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N2O6S/c22-19(20-15-4-5-17-18(13-15)27-11-10-26-17)14-2-1-3-16(12-14)28(23,24)21-6-8-25-9-7-21/h1-5,12-13H,6-11H2,(H,20,22)
InChIKeySEHUMXGMMVACOH-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.73
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1107128) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1107128
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N2O6S/c22-19(20-15-4-5-17-18(13-15)27-11-10-26-17)14-2-1-3-16(12-14)28(23,24)21-6-8-25-9-7-21/h1-5,12-13H,6-11H2,(H,20,22)
InChIKeySEHUMXGMMVACOH-UHFFFAOYSA-N
XLogP1.73
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide 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

2-[4-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 10344103
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 1262699
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4853782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4854007
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5128939
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
CID 6458112
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
4-(dimethylsulfamoyl)-N-{4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}benzamide
CID 1277944
4-[(dipropylamino)sulfonyl]-N-{4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2596476
4-fluoro-N-(3-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 26914637

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 1107128) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SEHUMXGMMVACOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-19(20-15-4-5-17-18(13-15)27-11-10-26-17)14-2-1-3-16(12-14)28(23,24)21-6-8-25-9-7-21/h1-5,12-13H,6-11H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 404.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1107128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).