N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H19NO4S — CID 2897391

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19NO4S/c17-21(18,16-13-8-10-1-2-11(13)7-10)12-3-4-14-15(9-12)20-6-5-19-14/h3-4,9-11,13,16H,1-2,5-8H2
InChIKeyNCFXABHOVANLIS-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.92
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2897391) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2897391
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19NO4S/c17-21(18,16-13-8-10-1-2-11(13)7-10)12-3-4-14-15(9-12)20-6-5-19-14/h3-4,9-11,13,16H,1-2,5-8H2
InChIKeyNCFXABHOVANLIS-UHFFFAOYSA-N
XLogP1.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
N-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 757234
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2366976
N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2890826
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2998407
N-isobutyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2889243
N-[[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 44142072
N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2929767
N-(cyclohexylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4796846
N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 6471449
N-(2-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 37557650
3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 3582410

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2897391) is N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1CC2CCC1C2)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is NCFXABHOVANLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-21(18,16-13-8-10-1-2-11(13)7-10)12-3-4-14-15(9-12)20-6-5-19-14/h3-4,9-11,13,16H,1-2,5-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2897391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).