2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide

C15H9Cl2F3N2O3S — CID 68976932

IUPAC2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)22-26(24,25)6-5-9-1-4-13(21-8-9)15(18,19)20/h1-8H,(H,22,23)
InChIKeyCCSWPLHHZQBDFF-UHFFFAOYSA-N
MW425.22 g/mol
LogP4.14
Rot. Bonds4

About 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide

2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide (PubChem CID 68976932) has the molecular formula C15H9Cl2F3N2O3S and a molecular weight of 425.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide
PubChem CID68976932
Molecular FormulaC15H9Cl2F3N2O3S
Molecular Weight425.22 g/mol
Exact Mass423.97
IUPAC Name2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide
SMILESO=C(NS(=O)(=O)C=Cc1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)22-26(24,25)6-5-9-1-4-13(21-8-9)15(18,19)20/h1-8H,(H,22,23)
InChIKeyCCSWPLHHZQBDFF-UHFFFAOYSA-N
XLogP4.14
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide (CID 68976932) is 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide is O=C(NS(=O)(=O)C=Cc1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide?
The InChIKey is CCSWPLHHZQBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)22-26(24,25)6-5-9-1-4-13(21-8-9)15(18,19)20/h1-8H,(H,22,23).
What are the key properties of 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide?
2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide has a molecular weight of 425.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethenylsulfonyl]benzamide is sourced from PubChem (CID 68976932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).