4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

C19H14F3N3O3S — CID 59672754

IUPAC4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C19H14F3N3O3S/c1-29(27,28)15-3-2-10-23-17(15)12-4-6-13(7-5-12)18(26)25-14-8-9-16(24-11-14)19(20,21)22/h2-11H,1H3,(H,25,26)
InChIKeyFKOJMRWSXJCLLG-UHFFFAOYSA-N
MW421.40 g/mol
LogP3.82
Rot. Bonds4

About 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 59672754) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID59672754
Molecular FormulaC19H14F3N3O3S
Molecular Weight421.40 g/mol
Exact Mass421.07
IUPAC Name4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C19H14F3N3O3S/c1-29(27,28)15-3-2-10-23-17(15)12-4-6-13(7-5-12)18(26)25-14-8-9-16(24-11-14)19(20,21)22/h2-11H,1H3,(H,25,26)
InChIKeyFKOJMRWSXJCLLG-UHFFFAOYSA-N
XLogP3.82
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (CID 59672754) is 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is CS(=O)(=O)c1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is FKOJMRWSXJCLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c1-29(27,28)15-3-2-10-23-17(15)12-4-6-13(7-5-12)18(26)25-14-8-9-16(24-11-14)19(20,21)22/h2-11H,1H3,(H,25,26).
What are the key properties of 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 421.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonyl-2-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 59672754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).