3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide

C23H22F3N3O3S — CID 70663485

IUPAC3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H22F3N3O3S/c1-15-7-5-6-8-19(15)20-9-10-27-14-21(20)29(4)22(30)16-11-17(23(24,25)26)13-18(12-16)33(31,32)28(2)3/h5-14H,1-4H3
InChIKeyFEWIBDBPDPAZFE-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.60
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide

3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide (PubChem CID 70663485) has the molecular formula C23H22F3N3O3S and a molecular weight of 477.51 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
PubChem CID70663485
Molecular FormulaC23H22F3N3O3S
Molecular Weight477.51 g/mol
Exact Mass477.13
IUPAC Name3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H22F3N3O3S/c1-15-7-5-6-8-19(15)20-9-10-27-14-21(20)29(4)22(30)16-11-17(23(24,25)26)13-18(12-16)33(31,32)28(2)3/h5-14H,1-4H3
InChIKeyFEWIBDBPDPAZFE-UHFFFAOYSA-N
XLogP4.60
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide (CID 70663485) is 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide is Cc1ccccc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The InChIKey is FEWIBDBPDPAZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3S/c1-15-7-5-6-8-19(15)20-9-10-27-14-21(20)29(4)22(30)16-11-17(23(24,25)26)13-18(12-16)33(31,32)28(2)3/h5-14H,1-4H3.
What are the key properties of 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide has a molecular weight of 477.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).