N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide

C₁₄H₁₁ClFNOS — CID 107019764

About N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide

N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107019764) has the molecular formula C₁₄H₁₁ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
• PubChem CID: 107019764
• Molecular Formula: C₁₄H₁₁ClFNOS
• Molecular Weight: 295.77 g/mol
• Exact Mass: 295.02
• IUPAC Name: N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
• SMILES: Cc1ccc(NC(=O)c2cc(S)ccc2F)cc1Cl
• InChI: InChI=1S/C14H11ClFNOS/c1-8-2-3-9(6-12(8)15)17-14(18)11-7-10(19)4-5-13(11)16/h2-7,19H,1H3,(H,17,18)
• InChIKey: GXIXZYKIBMRPBV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 29.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.77
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide (CID 107019764) is N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide is Cc1ccc(NC(=O)c2cc(S)ccc2F)cc1Cl.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?

The InChIKey is GXIXZYKIBMRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-8-2-3-9(6-12(8)15)17-14(18)11-7-10(19)4-5-13(11)16/h2-7,19H,1H3,(H,17,18).

What are the key properties of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?

N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 295.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107019764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107019764 — identifiers, structure, computed properties (public domain)

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