1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide

C13H14N2O2S — CID 669282

IUPAC1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccncc1
InChIInChI=1S/C13H14N2O2S/c16-18(17,11-13-4-2-1-3-5-13)15-10-12-6-8-14-9-7-12/h1-9,15H,10-11H2
InChIKeyHCHYUCULUBVPKD-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.70
Rot. Bonds5

About 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide

1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide (PubChem CID 669282) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
PubChem CID669282
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccncc1
InChIInChI=1S/C13H14N2O2S/c16-18(17,11-13-4-2-1-3-5-13)15-10-12-6-8-14-9-7-12/h1-9,15H,10-11H2
InChIKeyHCHYUCULUBVPKD-UHFFFAOYSA-N
XLogP1.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 30056935
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
N-benzyl-1-bromomethanesulfonamide
CID 75373678
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide
CID 110714444
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
4-[2-(4-phenylphenyl)ethynyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 144614843
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide (CID 669282) is 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccncc1.
What is the InChIKey of 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide?
The InChIKey is HCHYUCULUBVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-18(17,11-13-4-2-1-3-5-13)15-10-12-6-8-14-9-7-12/h1-9,15H,10-11H2.
What are the key properties of 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide?
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 669282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).