N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C17H15Cl2F3N2O4S — CID 18546984

About N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 18546984) has the molecular formula C17H15Cl2F3N2O4S and a molecular weight of 471.28 g/mol. Its IUPAC name is N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
• PubChem CID: 18546984
• Molecular Formula: C17H15Cl2F3N2O4S
• Molecular Weight: 471.28 g/mol
• Exact Mass: 470.01
• IUPAC Name: N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
• SMILES: CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1Cl
• InChI: InChI=1S/C17H15Cl2F3N2O4S/c1-16(26,17(20,21)22)15(25)23-11-8-9-12(14(19)13(11)18)29(27,28)24(2)10-6-4-3-5-7-10/h3-9,26H,1-2H3,(H,23,25)
• InChIKey: DOYKQFXJYZRTAL-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.28
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

The IUPAC name of N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 18546984) is N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

What is the SMILES notation for N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

The canonical SMILES for N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1Cl.

What is the InChIKey of N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

The InChIKey is DOYKQFXJYZRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O4S/c1-16(26,17(20,21)22)15(25)23-11-8-9-12(14(19)13(11)18)29(27,28)24(2)10-6-4-3-5-7-10/h3-9,26H,1-2H3,(H,23,25).

What are the key properties of N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?

N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 471.28 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 18546984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).