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

C23H21F4N3O4S — CID 70663527

IUPAC3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H21F4N3O4S/c1-29(2)35(32,33)17-10-14(9-15(11-17)23(25,26)27)22(31)30(3)20-13-28-8-7-18(20)19-6-5-16(24)12-21(19)34-4/h5-13H,1-4H3
InChIKeyUYBXEQUMKHQWHB-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.44
Rot. Bonds6

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

3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70663527) has the molecular formula C23H21F4N3O4S and a molecular weight of 511.50 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID70663527
Molecular FormulaC23H21F4N3O4S
Molecular Weight511.50 g/mol
Exact Mass511.12
IUPAC Name3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H21F4N3O4S/c1-29(2)35(32,33)17-10-14(9-15(11-17)23(25,26)27)22(31)30(3)20-13-28-8-7-18(20)19-6-5-16(24)12-21(19)34-4/h5-13H,1-4H3
InChIKeyUYBXEQUMKHQWHB-UHFFFAOYSA-N
XLogP4.44
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide (CID 70663527) is 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide is COc1cc(F)ccc1-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-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is UYBXEQUMKHQWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O4S/c1-29(2)35(32,33)17-10-14(9-15(11-17)23(25,26)27)22(31)30(3)20-13-28-8-7-18(20)19-6-5-16(24)12-21(19)34-4/h5-13H,1-4H3.
What are the key properties of 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide?
3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 511.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).