2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

C24H19F4N5O2S — CID 118393481

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILES[H]N=S(C)(=O)c1cnc(-c2ccccc2)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1
InChIInChI=1S/C24H19F4N5O2S/c1-33-9-8-20(32-33)16-11-17(19(25)12-18(16)24(26,27)28)23(34)31-21-10-15(36(2,29)35)13-30-22(21)14-6-4-3-5-7-14/h3-13,29H,1-2H3,(H,31,34)
InChIKeyXITKYJVULUVZPL-UHFFFAOYSA-N
MW517.51 g/mol
LogP5.59
Rot. Bonds5

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 118393481) has the molecular formula C24H19F4N5O2S and a molecular weight of 517.51 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID118393481
Molecular FormulaC24H19F4N5O2S
Molecular Weight517.51 g/mol
Exact Mass517.12
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILES[H]N=S(C)(=O)c1cnc(-c2ccccc2)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1
InChIInChI=1S/C24H19F4N5O2S/c1-33-9-8-20(32-33)16-11-17(19(25)12-18(16)24(26,27)28)23(34)31-21-10-15(36(2,29)35)13-30-22(21)14-6-4-3-5-7-14/h3-13,29H,1-2H3,(H,31,34)
InChIKeyXITKYJVULUVZPL-UHFFFAOYSA-N
XLogP5.59
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(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 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 118393481) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is [H]N=S(C)(=O)c1cnc(-c2ccccc2)c(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is XITKYJVULUVZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2S/c1-33-9-8-20(32-33)16-11-17(19(25)12-18(16)24(26,27)28)23(34)31-21-10-15(36(2,29)35)13-30-22(21)14-6-4-3-5-7-14/h3-13,29H,1-2H3,(H,31,34).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 517.51 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[5-(methylsulfonimidoyl)-2-phenyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).