4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C18H17N3O2S — CID 165409513

IUPAC4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cnccc1-c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-14-12-20-11-8-18(14)16-2-4-17(5-3-16)24(22,23)21-13-15-6-9-19-10-7-15/h2-12,21H,13H2,1H3
InChIKeyGOMBWJTXYBQFQG-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.93
Rot. Bonds5

About 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 165409513) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID165409513
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cnccc1-c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-14-12-20-11-8-18(14)16-2-4-17(5-3-16)24(22,23)21-13-15-6-9-19-10-7-15/h2-12,21H,13H2,1H3
InChIKeyGOMBWJTXYBQFQG-UHFFFAOYSA-N
XLogP2.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 58108469
4-[2-(4-phenylphenyl)ethynyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 144614843
4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165638
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 170691619
4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114700456
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114955251
4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701636
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 165409513) is 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is Cc1cnccc1-c1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is GOMBWJTXYBQFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-14-12-20-11-8-18(14)16-2-4-17(5-3-16)24(22,23)21-13-15-6-9-19-10-7-15/h2-12,21H,13H2,1H3.
What are the key properties of 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 165409513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).