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

C20H19FN2O2S — CID 53148402

IUPAC4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-14-5-7-16(8-6-14)20-17(4-3-11-22-20)13-23-26(24,25)18-9-10-19(21)15(2)12-18/h3-12,23H,13H2,1-2H3
InChIKeyQQNYOLPABACIJA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.98
Rot. Bonds5

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

4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 53148402) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID53148402
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-14-5-7-16(8-6-14)20-17(4-3-11-22-20)13-23-26(24,25)18-9-10-19(21)15(2)12-18/h3-12,23H,13H2,1-2H3
InChIKeyQQNYOLPABACIJA-UHFFFAOYSA-N
XLogP3.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148360
4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148390
4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121022847
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275553
3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275612
N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 35389857
4-amino-3-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 82844259
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869633
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide (CID 53148402) is 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide is Cc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is QQNYOLPABACIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-14-5-7-16(8-6-14)20-17(4-3-11-22-20)13-23-26(24,25)18-9-10-19(21)15(2)12-18/h3-12,23H,13H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53148402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).