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

C17H17NO5S — CID 977365

IUPAC2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5S/c19-17(12-24(20,21)11-13-4-2-1-3-5-13)18-14-6-7-15-16(10-14)23-9-8-22-15/h1-7,10H,8-9,11-12H2,(H,18,19)
InChIKeyYFKZCWAATHXKMA-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.01
Rot. Bonds5

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

2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 977365) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID977365
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO5S/c19-17(12-24(20,21)11-13-4-2-1-3-5-13)18-14-6-7-15-16(10-14)23-9-8-22-15/h1-7,10H,8-9,11-12H2,(H,18,19)
InChIKeyYFKZCWAATHXKMA-UHFFFAOYSA-N
XLogP2.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 977365) is 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is YFKZCWAATHXKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-17(12-24(20,21)11-13-4-2-1-3-5-13)18-14-6-7-15-16(10-14)23-9-8-22-15/h1-7,10H,8-9,11-12H2,(H,18,19).
What are the key properties of 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 977365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).