2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide

C21H20N2O4S — CID 162627522

IUPAC2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C21H20N2O4S/c1-14-12-18(21(25)22-15(14)2)23-20(24)17-10-6-7-11-19(17)28(26,27)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQYQYGKUMCZSXIA-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.22
Rot. Bonds5

About 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide

2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 162627522) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide
PubChem CID162627522
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C21H20N2O4S/c1-14-12-18(21(25)22-15(14)2)23-20(24)17-10-6-7-11-19(17)28(26,27)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQYQYGKUMCZSXIA-UHFFFAOYSA-N
XLogP3.22
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
CID 6457202
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172670938
2-benzylsulfonylbenzoic acid
CID 561426
2-benzylsulfonyl-N-(2-phenylethyl)benzamide
CID 5297896
N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
CID 55782447
2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
CID 70708699
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
2-[(4-chlorophenyl)methylsulfonyl]benzoic acid
CID 20983894

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide (CID 162627522) is 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide is Cc1cc(NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is QYQYGKUMCZSXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-14-12-18(21(25)22-15(14)2)23-20(24)17-10-6-7-11-19(17)28(26,27)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide?
2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 162627522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).