2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide

C21H20N4O4S — CID 990951

IUPAC2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O4S/c1-25(2)30(28,29)16-12-10-15(11-13-16)20(26)23-18-8-4-3-7-17(18)21(27)24-19-9-5-6-14-22-19/h3-14H,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyPWJFKGOLGLUPKH-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.84
Rot. Bonds6

About 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide (PubChem CID 990951) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide
PubChem CID990951
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O4S/c1-25(2)30(28,29)16-12-10-15(11-13-16)20(26)23-18-8-4-3-7-17(18)21(27)24-19-9-5-6-14-22-19/h3-14H,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyPWJFKGOLGLUPKH-UHFFFAOYSA-N
XLogP2.84
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16047968
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
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Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 6
CID 53319075
Tubulin inhibitor 11
CID 139369407
n-Isopropyl-1-[3-(4-methylsulfonylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10115569
N-methyl-2-[[5-methyl-2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 44526249
N-[2-amino-5-(2-amino-4-oxo-3-phenyl-quinazolin-6-yl)-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 57407079
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
2-amino-N-(pyridin-2-yl)benzamide
CID 276325
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
2-({2-[(4-Carbamoylphenyl)amino]pyrimidin-4-Yl}amino)benzamide
CID 60138156

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide (CID 990951) is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide?
The InChIKey is PWJFKGOLGLUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-25(2)30(28,29)16-12-10-15(11-13-16)20(26)23-18-8-4-3-7-17(18)21(27)24-19-9-5-6-14-22-19/h3-14H,1-2H3,(H,23,26)(H,22,24,27).
What are the key properties of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide?
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide has a molecular weight of 424.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 990951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).