N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide

C14H20N2O6S2 — CID 110287605

IUPACN-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCS(=O)(=O)N1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O6S2/c17-23(18,16-7-2-1-3-8-16)9-6-15-24(19,20)12-4-5-13-14(10-12)22-11-21-13/h4-5,10,15H,1-3,6-9,11H2
InChIKeyLAJFHGJQRLFLQU-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.51
Rot. Bonds6

About N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide

N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110287605) has the molecular formula C14H20N2O6S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110287605
Molecular FormulaC14H20N2O6S2
Molecular Weight376.46 g/mol
Exact Mass376.08
IUPAC NameN-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCS(=O)(=O)N1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O6S2/c17-23(18,16-7-2-1-3-8-16)9-6-15-24(19,20)12-4-5-13-14(10-12)22-11-21-13/h4-5,10,15H,1-3,6-9,11H2
InChIKeyLAJFHGJQRLFLQU-UHFFFAOYSA-N
XLogP0.51
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
CID 110287612
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110287737
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110415763
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642960
N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110405037
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110345927
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110359364
N-[2-(2,5-dimethylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110787318

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide (CID 110287605) is N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NCCS(=O)(=O)N1CCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is LAJFHGJQRLFLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S2/c17-23(18,16-7-2-1-3-8-16)9-6-15-24(19,20)12-4-5-13-14(10-12)22-11-21-13/h4-5,10,15H,1-3,6-9,11H2.
What are the key properties of N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide?
N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110287605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).