2-(1,3-benzodioxol-5-ylsulfonylamino)acetate

C9H8NO6S- — CID 7744996

IUPAC2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H9NO6S/c11-9(12)4-10-17(13,14)6-1-2-7-8(3-6)16-5-15-7/h1-3,10H,4-5H2,(H,11,12)/p-1
InChIKeyMWOPDRHJEXUACB-UHFFFAOYSA-M
MW258.23 g/mol
LogP-1.56
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate

2-(1,3-benzodioxol-5-ylsulfonylamino)acetate (PubChem CID 7744996) has the molecular formula C9H8NO6S- and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
PubChem CID7744996
Molecular FormulaC9H8NO6S-
Molecular Weight258.23 g/mol
Exact Mass258.01
IUPAC Name2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H9NO6S/c11-9(12)4-10-17(13,14)6-1-2-7-8(3-6)16-5-15-7/h1-3,10H,4-5H2,(H,11,12)/p-1
InChIKeyMWOPDRHJEXUACB-UHFFFAOYSA-M
XLogP-1.56
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
CID 112999713
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[(2-methylphenyl)methyl]acetamide
CID 112992128
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110407099
N-[(4-aminophenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 39439652
N-[(4-ethylphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110779544

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate?
The IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate (CID 7744996) is 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate is O=C([O-])CNS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate?
The InChIKey is MWOPDRHJEXUACB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO6S/c11-9(12)4-10-17(13,14)6-1-2-7-8(3-6)16-5-15-7/h1-3,10H,4-5H2,(H,11,12)/p-1.
What are the key properties of 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate?
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate has a molecular weight of 258.23 g/mol, XLogP of -1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylsulfonylamino)acetate is sourced from PubChem (CID 7744996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).