2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide

C15H12N2O3S2 — CID 5307202

IUPAC2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C15H12N2O3S2/c18-14(16-11-6-2-1-3-7-11)10-21-15-12-8-4-5-9-13(12)22(19,20)17-15/h1-9H,10H2,(H,16,18)
InChIKeyAGHRALKGLMEALT-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.51
Rot. Bonds3

About 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 5307202) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID5307202
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C15H12N2O3S2/c18-14(16-11-6-2-1-3-7-11)10-21-15-12-8-4-5-9-13(12)22(19,20)17-15/h1-9H,10H2,(H,16,18)
InChIKeyAGHRALKGLMEALT-UHFFFAOYSA-N
XLogP2.51
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide (CID 5307202) is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide is O=C(CSC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is AGHRALKGLMEALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c18-14(16-11-6-2-1-3-7-11)10-21-15-12-8-4-5-9-13(12)22(19,20)17-15/h1-9H,10H2,(H,16,18).
What are the key properties of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide?
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 332.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 5307202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).