4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide

C24H21N3O2S — CID 121165638

IUPAC4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCc3ccnc(-c4ccncc4)c3)cc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-18-2-4-20(5-3-18)21-6-8-23(9-7-21)30(28,29)27-17-19-10-15-26-24(16-19)22-11-13-25-14-12-22/h2-16,27H,17H2,1H3
InChIKeyJOFOHNWJRDOEIB-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.60
Rot. Bonds6

About 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide

4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121165638) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID121165638
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCc3ccnc(-c4ccncc4)c3)cc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-18-2-4-20(5-3-18)21-6-8-23(9-7-21)30(28,29)27-17-19-10-15-26-24(16-19)22-11-13-25-14-12-22/h2-16,27H,17H2,1H3
InChIKeyJOFOHNWJRDOEIB-UHFFFAOYSA-N
XLogP4.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165646
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 121018139
4-(2-phenylethynyl)-N-[(2-phenyl-4-pyridinyl)methyl]benzenesulfonamide
CID 90137222
4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
CID 121166056
4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166054
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 165409513
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 121165638) is 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccnc(-c4ccncc4)c3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is JOFOHNWJRDOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-18-2-4-20(5-3-18)21-6-8-23(9-7-21)30(28,29)27-17-19-10-15-26-24(16-19)22-11-13-25-14-12-22/h2-16,27H,17H2,1H3.
What are the key properties of 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121165638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).