2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide

C₁₅H₁₄ClNO₃S — CID 107020390

About 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide

2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide (PubChem CID 107020390) has the molecular formula C₁₅H₁₄ClNO₃S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
• PubChem CID: 107020390
• Molecular Formula: C₁₅H₁₄ClNO₃S
• Molecular Weight: 323.80 g/mol
• Exact Mass: 323.04
• IUPAC Name: 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
• SMILES: COc1cc(NC(=O)c2cc(S)ccc2Cl)cc(OC)c1
• InChI: InChI=1S/C15H14ClNO3S/c1-19-10-5-9(6-11(7-10)20-2)17-15(18)13-8-12(21)3-4-14(13)16/h3-8,21H,1-2H3,(H,17,18)
• InChIKey: WWULJZYWMCNVRL-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 47.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.80
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?

The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide (CID 107020390) is 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide.

What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?

The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide is COc1cc(NC(=O)c2cc(S)ccc2Cl)cc(OC)c1.

What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?

The InChIKey is WWULJZYWMCNVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-19-10-5-9(6-11(7-10)20-2)17-15(18)13-8-12(21)3-4-14(13)16/h3-8,21H,1-2H3,(H,17,18).

What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide?

2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide has a molecular weight of 323.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107020390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107020390 — identifiers, structure, computed properties (public domain)

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