4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid

C21H18F3N3O5S — CID 53257044

IUPAC4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17N3O3S.C2HF3O2/c1-14-5-7-15(8-6-14)19(23)21-16-9-11-17(12-10-16)26(24,25)22-18-4-2-3-13-20-18;3-2(4,5)1(6)7/h2-13H,1H3,(H,20,22)(H,21,23);(H,6,7)
InChIKeyZKXKPMXUQWYIOA-UHFFFAOYSA-N
MW481.45 g/mol
LogP4.08
Rot. Bonds5

About 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid

4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 53257044) has the molecular formula C21H18F3N3O5S and a molecular weight of 481.45 g/mol. Its IUPAC name is 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID53257044
Molecular FormulaC21H18F3N3O5S
Molecular Weight481.45 g/mol
Exact Mass481.09
IUPAC Name4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17N3O3S.C2HF3O2/c1-14-5-7-15(8-6-14)19(23)21-16-9-11-17(12-10-16)26(24,25)22-18-4-2-3-13-20-18;3-2(4,5)1(6)7/h2-13H,1H3,(H,20,22)(H,21,23);(H,6,7)
InChIKeyZKXKPMXUQWYIOA-UHFFFAOYSA-N
XLogP4.08
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 28635441
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
N-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 53257039
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 30396142
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
2-chloro-4-nitro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 54759172
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid (CID 53257044) is 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZKXKPMXUQWYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S.C2HF3O2/c1-14-5-7-15(8-6-14)19(23)21-16-9-11-17(12-10-16)26(24,25)22-18-4-2-3-13-20-18;3-2(4,5)1(6)7/h2-13H,1H3,(H,20,22)(H,21,23);(H,6,7).
What are the key properties of 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 481.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53257044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).