N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide

C13H14N2O2S — CID 56920768

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-18(16,17)15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12/h2-9,15H,10H2,1H3
InChIKeyXJFYMFVYGLXJLI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.04
Rot. Bonds4

About N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide

N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide (PubChem CID 56920768) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
PubChem CID56920768
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-18(16,17)15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12/h2-9,15H,10H2,1H3
InChIKeyXJFYMFVYGLXJLI-UHFFFAOYSA-N
XLogP2.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
(E)-2-(4-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethenesulfonamide
CID 90481148
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099
ethanol;5-fluoro-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 90485102
4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 1075667
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide (CID 56920768) is N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide?
The InChIKey is XJFYMFVYGLXJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-18(16,17)15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12/h2-9,15H,10H2,1H3.
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide?
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 56920768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).