4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide

C20H19N3O3S — CID 1210805

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-5-11-19(12-6-15)27(25,26)23(2)18-9-7-16(8-10-18)20(24)22-17-4-3-13-21-14-17/h3-14H,1-2H3,(H,22,24)
InChIKeyCCLJZTBFYPOVMB-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.47
Rot. Bonds5

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide (PubChem CID 1210805) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
PubChem CID1210805
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-5-11-19(12-6-15)27(25,26)23(2)18-9-7-16(8-10-18)20(24)22-17-4-3-13-21-14-17/h3-14H,1-2H3,(H,22,24)
InChIKeyCCLJZTBFYPOVMB-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
CID 1242126
4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 33314267
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 26899681
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55800306

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide (CID 1210805) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide?
The InChIKey is CCLJZTBFYPOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15-5-11-19(12-6-15)27(25,26)23(2)18-9-7-16(8-10-18)20(24)22-17-4-3-13-21-14-17/h3-14H,1-2H3,(H,22,24).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1210805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).