5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide

C19H16F2N2O2S — CID 11552515

IUPAC5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(F)c2)c(C)n1
InChIInChI=1S/C19H16F2N2O2S/c1-12-6-7-16(21)11-18(12)26(24,25)23-19-9-8-17(13(2)22-19)14-4-3-5-15(20)10-14/h3-11H,1-2H3,(H,22,23)
InChIKeyPYZBSGIUTWYCDY-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.44
Rot. Bonds4

About 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide

5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11552515) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11552515
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC Name5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(F)c2)c(C)n1
InChIInChI=1S/C19H16F2N2O2S/c1-12-6-7-16(21)11-18(12)26(24,25)23-19-9-8-17(13(2)22-19)14-4-3-5-15(20)10-14/h3-11H,1-2H3,(H,22,23)
InChIKeyPYZBSGIUTWYCDY-UHFFFAOYSA-N
XLogP4.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11552515) is 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cccc(F)c2)c(C)n1.
What is the InChIKey of 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is PYZBSGIUTWYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-12-6-7-16(21)11-18(12)26(24,25)23-19-9-8-17(13(2)22-19)14-4-3-5-15(20)10-14/h3-11H,1-2H3,(H,22,23).
What are the key properties of 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 374.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11552515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).