N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide

C13H19NO4S — CID 47371399

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO4S/c1-2-3-8-19(15,16)14-10-11-4-5-12-13(9-11)18-7-6-17-12/h4-5,9,14H,2-3,6-8,10H2,1H3
InChIKeyNSLNDLXJLCRMSY-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.68
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide (PubChem CID 47371399) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
PubChem CID47371399
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H19NO4S/c1-2-3-8-19(15,16)14-10-11-4-5-12-13(9-11)18-7-6-17-12/h4-5,9,14H,2-3,6-8,10H2,1H3
InChIKeyNSLNDLXJLCRMSY-UHFFFAOYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)ethanesulfonamide
CID 110780565
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 26943562
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]propane-1-sulfonamide
CID 110783827
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)propanoic acid
CID 28514143
N-(1,3-benzodioxol-5-ylmethyl)-4-butylbenzenesulfonamide
CID 19680671
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
CID 591044
2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 113220739
N-(1,3-benzodioxol-5-ylmethyl)-4-hexylbenzenesulfonamide
CID 84556940
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692392

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide (CID 47371399) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide?
The InChIKey is NSLNDLXJLCRMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-3-8-19(15,16)14-10-11-4-5-12-13(9-11)18-7-6-17-12/h4-5,9,14H,2-3,6-8,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 47371399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).