4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide

C19H17FN2O2S — CID 53148360

IUPAC4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cccc(-c2ncccc2CNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O2S/c1-14-4-2-5-15(12-14)19-16(6-3-11-21-19)13-22-25(23,24)18-9-7-17(20)8-10-18/h2-12,22H,13H2,1H3
InChIKeyLOZWFXYDYPAOQE-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.67
Rot. Bonds5

About 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide

4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 53148360) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID53148360
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cccc(-c2ncccc2CNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O2S/c1-14-4-2-5-15(12-14)19-16(6-3-11-21-19)13-22-25(23,24)18-9-7-17(20)8-10-18/h2-12,22H,13H2,1H3
InChIKeyLOZWFXYDYPAOQE-UHFFFAOYSA-N
XLogP3.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide (CID 53148360) is 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide is Cc1cccc(-c2ncccc2CNS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is LOZWFXYDYPAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-14-4-2-5-15(12-14)19-16(6-3-11-21-19)13-22-25(23,24)18-9-7-17(20)8-10-18/h2-12,22H,13H2,1H3.
What are the key properties of 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53148360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).