2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide

C15H13Cl2FN2O3S — CID 51213570

IUPAC2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-8(9-3-2-4-10(5-9)24(19,22)23)20-15(21)11-6-14(18)13(17)7-12(11)16/h2-8H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyVHYXCJCWGZWNHX-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.27
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide

2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (PubChem CID 51213570) has the molecular formula C15H13Cl2FN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
PubChem CID51213570
Molecular FormulaC15H13Cl2FN2O3S
Molecular Weight391.25 g/mol
Exact Mass390.00
IUPAC Name2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-8(9-3-2-4-10(5-9)24(19,22)23)20-15(21)11-6-14(18)13(17)7-12(11)16/h2-8H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyVHYXCJCWGZWNHX-UHFFFAOYSA-N
XLogP3.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (CID 51213570) is 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is CC(NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is VHYXCJCWGZWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3S/c1-8(9-3-2-4-10(5-9)24(19,22)23)20-15(21)11-6-14(18)13(17)7-12(11)16/h2-8H,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 391.25 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 51213570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).