2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide

C23H18Cl2F4N2O4S — CID 165166272

About 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide

2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 165166272) has the molecular formula C23H18Cl2F4N2O4S and a molecular weight of 565.37 g/mol. Its IUPAC name is 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide
• PubChem CID: 165166272
• Molecular Formula: C23H18Cl2F4N2O4S
• Molecular Weight: 565.37 g/mol
• Exact Mass: 564.03
• IUPAC Name: 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide
• SMILES: CC(c1cc(F)cc(Oc2c(Cl)ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2Cl)c1)C(F)(F)F
• InChI: InChI=1S/C23H18Cl2F4N2O4S/c1-12(23(27,28)29)14-8-15(26)10-16(9-14)35-21-19(24)7-6-18(20(21)25)22(32)31-11-13-2-4-17(5-3-13)36(30,33)34/h2-10,12H,11H2,1H3,(H,31,32)(H2,30,33,34)
• InChIKey: JSMCZIQVGVIUGL-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 98.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.37
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide?

The IUPAC name of 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 165166272) is 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide.

What is the SMILES notation for 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide?

The canonical SMILES for 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide is CC(c1cc(F)cc(Oc2c(Cl)ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2Cl)c1)C(F)(F)F.

What is the InChIKey of 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide?

The InChIKey is JSMCZIQVGVIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F4N2O4S/c1-12(23(27,28)29)14-8-15(26)10-16(9-14)35-21-19(24)7-6-18(20(21)25)22(32)31-11-13-2-4-17(5-3-13)36(30,33)34/h2-10,12H,11H2,1H3,(H,31,32)(H2,30,33,34).

What are the key properties of 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide?

2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 565.37 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 165166272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).