N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

C23H23FN2O3S — CID 25047487

IUPACN-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1C
InChIInChI=1S/C23H23FN2O3S/c1-16-8-9-19(14-17(16)2)26-23(27)21-15-20(10-11-22(21)24)30(28,29)25-13-12-18-6-4-3-5-7-18/h3-11,14-15,25H,12-13H2,1-2H3,(H,26,27)
InChIKeyXIIPIVVYFAGHOM-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.22
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide

N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (PubChem CID 25047487) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
PubChem CID25047487
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1C
InChIInChI=1S/C23H23FN2O3S/c1-16-8-9-19(14-17(16)2)26-23(27)21-15-20(10-11-22(21)24)30(28,29)25-13-12-18-6-4-3-5-7-18/h3-11,14-15,25H,12-13H2,1-2H3,(H,26,27)
InChIKeyXIIPIVVYFAGHOM-UHFFFAOYSA-N
XLogP4.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide (CID 25047487) is N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is XIIPIVVYFAGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-16-8-9-19(14-17(16)2)26-23(27)21-15-20(10-11-22(21)24)30(28,29)25-13-12-18-6-4-3-5-7-18/h3-11,14-15,25H,12-13H2,1-2H3,(H,26,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide?
N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 426.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 25047487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).