3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C21H20N2O3S — CID 110360476

IUPAC3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(C)cc2)c1
InChIInChI=1S/C21H20N2O3S/c1-16-8-10-20(11-9-16)23(15-18-5-4-12-22-14-18)27(25,26)21-7-3-6-19(13-21)17(2)24/h3-14H,15H2,1-2H3
InChIKeyPNZCCHGANXFNAH-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.99
Rot. Bonds6

About 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110360476) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110360476
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(C)cc2)c1
InChIInChI=1S/C21H20N2O3S/c1-16-8-10-20(11-9-16)23(15-18-5-4-12-22-14-18)27(25,26)21-7-3-6-19(13-21)17(2)24/h3-14H,15H2,1-2H3
InChIKeyPNZCCHGANXFNAH-UHFFFAOYSA-N
XLogP3.99
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 171387338
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
N-ethyl-2-[4-methyl-N-[(5-methyl-2-pyridinyl)sulfonyl]anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 58978410
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110360476) is 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(C)cc2)c1.
What is the InChIKey of 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is PNZCCHGANXFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-8-10-20(11-9-16)23(15-18-5-4-12-22-14-18)27(25,26)21-7-3-6-19(13-21)17(2)24/h3-14H,15H2,1-2H3.
What are the key properties of 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110360476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).