N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

C20H19FN2O2S — CID 110360869

IUPACN-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-16-4-6-17(7-5-16)15-26(24,25)23(14-18-3-2-12-22-13-18)20-10-8-19(21)9-11-20/h2-13H,14-15H2,1H3
InChIKeyYMYZMTFXJSPFHW-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.07
Rot. Bonds6

About N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 110360869) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID110360869
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-16-4-6-17(7-5-16)15-26(24,25)23(14-18-3-2-12-22-13-18)20-10-8-19(21)9-11-20/h2-13H,14-15H2,1H3
InChIKeyYMYZMTFXJSPFHW-UHFFFAOYSA-N
XLogP4.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 110360875
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360863
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521704
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521664

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 110360869) is N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is YMYZMTFXJSPFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-16-4-6-17(7-5-16)15-26(24,25)23(14-18-3-2-12-22-13-18)20-10-8-19(21)9-11-20/h2-13H,14-15H2,1H3.
What are the key properties of N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110360869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).