1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide

C18H17N3O2S — CID 110714444

IUPAC1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H17N3O2S/c22-24(23,14-15-6-2-1-3-7-15)21-13-16-9-10-18(20-12-16)17-8-4-5-11-19-17/h1-12,21H,13-14H2
InChIKeyYIQLZUVAIPDENS-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.76
Rot. Bonds6

About 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide

1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 110714444) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide
PubChem CID110714444
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H17N3O2S/c22-24(23,14-15-6-2-1-3-7-15)21-13-16-9-10-18(20-12-16)17-8-4-5-11-19-17/h1-12,21H,13-14H2
InChIKeyYIQLZUVAIPDENS-UHFFFAOYSA-N
XLogP2.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
CID 86266163
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
ethane;5-ethyl-2-pyridin-2-ylpyridine
CID 143067787
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631
2-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]methylamino]acetic acid
CID 165114141
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
2-(2-benzylsulfonylphenyl)pyridine
CID 102281426
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide (CID 110714444) is 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccc(-c2ccccn2)nc1.
What is the InChIKey of 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is YIQLZUVAIPDENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-24(23,14-15-6-2-1-3-7-15)21-13-16-9-10-18(20-12-16)17-8-4-5-11-19-17/h1-12,21H,13-14H2.
What are the key properties of 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide?
1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 110714444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).