2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

C₁₂H₈Cl₂FNO₃S — CID 103088374

About 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 103088374) has the molecular formula C₁₂H₈Cl₂FNO₃S and a molecular weight of 336.17 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
• PubChem CID: 103088374
• Molecular Formula: C₁₂H₈Cl₂FNO₃S
• Molecular Weight: 336.17 g/mol
• Exact Mass: 334.96
• IUPAC Name: 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
• SMILES: O=S(=O)(Nc1cccc(O)c1)c1ccc(Cl)c(F)c1Cl
• InChI: InChI=1S/C12H8Cl2FNO3S/c13-9-4-5-10(11(14)12(9)15)20(18,19)16-7-2-1-3-8(17)6-7/h1-6,16-17H
• InChIKey: ZTFGLMVOULCYMM-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 66.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.17
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?

The IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (CID 103088374) is 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.

What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?

The canonical SMILES for 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(O)c1)c1ccc(Cl)c(F)c1Cl.

What is the InChIKey of 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?

The InChIKey is ZTFGLMVOULCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO3S/c13-9-4-5-10(11(14)12(9)15)20(18,19)16-7-2-1-3-8(17)6-7/h1-6,16-17H.

What are the key properties of 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?

2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 336.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 103088374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103088374 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.