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

C22H18F4N2O3S — CID 70663248

IUPACN-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(F)cc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C22H18F4N2O3S/c1-13-4-5-16(23)11-19(13)18-6-7-27-12-20(18)28(2)21(29)14-8-15(22(24,25)26)10-17(9-14)32(3,30)31/h4-12H,1-3H3
InChIKeyNPTFLRFQJCPKIX-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.90
Rot. Bonds4

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

N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide (PubChem CID 70663248) has the molecular formula C22H18F4N2O3S and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
PubChem CID70663248
Molecular FormulaC22H18F4N2O3S
Molecular Weight466.46 g/mol
Exact Mass466.10
IUPAC NameN-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(F)cc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C22H18F4N2O3S/c1-13-4-5-16(23)11-19(13)18-6-7-27-12-20(18)28(2)21(29)14-8-15(22(24,25)26)10-17(9-14)32(3,30)31/h4-12H,1-3H3
InChIKeyNPTFLRFQJCPKIX-UHFFFAOYSA-N
XLogP4.90
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-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 N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide (CID 70663248) is N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide is Cc1ccc(F)cc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1.
What is the InChIKey of N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
The InChIKey is NPTFLRFQJCPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O3S/c1-13-4-5-16(23)11-19(13)18-6-7-27-12-20(18)28(2)21(29)14-8-15(22(24,25)26)10-17(9-14)32(3,30)31/h4-12H,1-3H3.
What are the key properties of N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide?
N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide has a molecular weight of 466.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-methylphenyl)-3-pyridinyl]-N-methyl-3-methylsulfonyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).