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

C20H22N2O5S — CID 1262699

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22N2O5S/c23-20(21-16-7-8-18-19(14-16)27-12-11-26-18)15-5-4-6-17(13-15)28(24,25)22-9-2-1-3-10-22/h4-8,13-14H,1-3,9-12H2,(H,21,23)
InChIKeyKQXIYYOJORBUBW-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.88
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1262699) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1262699
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22N2O5S/c23-20(21-16-7-8-18-19(14-16)27-12-11-26-18)15-5-4-6-17(13-15)28(24,25)22-9-2-1-3-10-22/h4-8,13-14H,1-3,9-12H2,(H,21,23)
InChIKeyKQXIYYOJORBUBW-UHFFFAOYSA-N
XLogP2.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
CeMMEC13
CID 110694558
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
CID 786352
[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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 1262699) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KQXIYYOJORBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c23-20(21-16-7-8-18-19(14-16)27-12-11-26-18)15-5-4-6-17(13-15)28(24,25)22-9-2-1-3-10-22/h4-8,13-14H,1-3,9-12H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 402.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1262699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).