N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide

C10H13NO6S — CID 110642725

IUPACN-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
SMILESCOCCONS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO6S/c1-14-4-5-17-11-18(12,13)8-2-3-9-10(6-8)16-7-15-9/h2-3,6,11H,4-5,7H2,1H3
InChIKeyDSCMHKHHANHWMX-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.27
Rot. Bonds6

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

N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110642725) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
PubChem CID110642725
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC NameN-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
SMILESCOCCONS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO6S/c1-14-4-5-17-11-18(12,13)8-2-3-9-10(6-8)16-7-15-9/h2-3,6,11H,4-5,7H2,1H3
InChIKeyDSCMHKHHANHWMX-UHFFFAOYSA-N
XLogP0.27
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642960
N-[6-(3-methoxypropylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113039612
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methoxypropanoic acid
CID 104936736
N-[2-(4-methylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113099181
N-[(4-ethylphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110779544
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344442
N-[2-(4-tert-butylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113100545

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide (CID 110642725) is N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide is COCCONS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is DSCMHKHHANHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-14-4-5-17-11-18(12,13)8-2-3-9-10(6-8)16-7-15-9/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide?
N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 275.28 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110642725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).