4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide

C₁₄H₉ClN₂O₄S — CID 155561775

About 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide

4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide (PubChem CID 155561775) has the molecular formula C₁₄H₉ClN₂O₄S and a molecular weight of 336.76 g/mol. Its IUPAC name is 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide
• PubChem CID: 155561775
• Molecular Formula: C₁₄H₉ClN₂O₄S
• Molecular Weight: 336.76 g/mol
• Exact Mass: 336.00
• IUPAC Name: 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide
• SMILES: O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
• InChIKey: ZFBVUFNMKSTGRF-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 92.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.76
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?

The IUPAC name of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide (CID 155561775) is 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide.

What is the SMILES notation for 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?

The canonical SMILES for 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?

The InChIKey is ZFBVUFNMKSTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19).

What are the key properties of 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide?

4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide has a molecular weight of 336.76 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 155561775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155561775 — identifiers, structure, computed properties (public domain)

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