N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide

C9H8N2O4S — CID 132596304

IUPACN-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
InChIInChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKeyUPJGYJRRHLQFMW-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.08
Rot. Bonds1

About N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide

N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide (PubChem CID 132596304) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide
PubChem CID132596304
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC NameN-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
InChIInChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKeyUPJGYJRRHLQFMW-UHFFFAOYSA-N
XLogP0.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide?
The IUPAC name of N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide (CID 132596304) is N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide.
What is the SMILES notation for N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide?
The canonical SMILES for N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O.
What is the InChIKey of N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide?
The InChIKey is UPJGYJRRHLQFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13).
What are the key properties of N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide?
N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide has a molecular weight of 240.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide is sourced from PubChem (CID 132596304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).