4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide

C20H14Cl3FN2O3S — CID 122422388

IUPAC4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
SMILESCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C20H14Cl3FN2O3S/c1-10-5-14(20(27)26-30(2,28)29)18(24)8-13(10)12-7-17(23)19(25-9-12)11-3-4-15(21)16(22)6-11/h3-9H,1-2H3,(H,26,27)
InChIKeyJVPGIZUNAZOJSK-UHFFFAOYSA-N
MW487.77 g/mol
LogP5.51
Rot. Bonds4

About 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide

4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide (PubChem CID 122422388) has the molecular formula C20H14Cl3FN2O3S and a molecular weight of 487.77 g/mol. Its IUPAC name is 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
PubChem CID122422388
Molecular FormulaC20H14Cl3FN2O3S
Molecular Weight487.77 g/mol
Exact Mass485.98
IUPAC Name4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
SMILESCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C20H14Cl3FN2O3S/c1-10-5-14(20(27)26-30(2,28)29)18(24)8-13(10)12-7-17(23)19(25-9-12)11-3-4-15(21)16(22)6-11/h3-9H,1-2H3,(H,26,27)
InChIKeyJVPGIZUNAZOJSK-UHFFFAOYSA-N
XLogP5.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide (CID 122422388) is 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide is Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
The InChIKey is JVPGIZUNAZOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3FN2O3S/c1-10-5-14(20(27)26-30(2,28)29)18(24)8-13(10)12-7-17(23)19(25-9-12)11-3-4-15(21)16(22)6-11/h3-9H,1-2H3,(H,26,27).
What are the key properties of 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide has a molecular weight of 487.77 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-6-(3,4-dichlorophenyl)-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 122422388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).