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

C9H11NO4S — CID 2788662

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
InChIKeyAUBOIJRZDYWMPQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.83
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (PubChem CID 2788662) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
PubChem CID2788662
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
InChIKeyAUBOIJRZDYWMPQ-UHFFFAOYSA-N
XLogP0.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 83092877
7-(dimethylsulfamoylamino)-3,4-dihydro-2H-1,5-benzodioxepine
CID 110776719
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methanesulfonamido)benzamide
CID 133230407
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 54944704
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110412787
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
1-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonamide
CID 55246773
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (CID 2788662) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The InChIKey is AUBOIJRZDYWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide has a molecular weight of 229.26 g/mol, XLogP of 0.83, 2 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-yl)methanesulfonamide is sourced from PubChem (CID 2788662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).