2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide

C16H18F2N4O3S — CID 122356295

IUPAC2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H18F2N4O3S/c1-9-13(10(2)20-16(19-9)22(3)4)21-14(23)11-7-5-6-8-12(11)26(24,25)15(17)18/h5-8,15H,1-4H3,(H,21,23)
InChIKeyNSPOJAUHRVFHLW-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.41
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide

2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide (PubChem CID 122356295) has the molecular formula C16H18F2N4O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
PubChem CID122356295
Molecular FormulaC16H18F2N4O3S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H18F2N4O3S/c1-9-13(10(2)20-16(19-9)22(3)4)21-14(23)11-7-5-6-8-12(11)26(24,25)15(17)18/h5-8,15H,1-4H3,(H,21,23)
InChIKeyNSPOJAUHRVFHLW-UHFFFAOYSA-N
XLogP2.41
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 122356294
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 122356232
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(difluoromethylsulfonyl)benzamide
CID 122296797
2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 16850068
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
2-(difluoromethylsulfonyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122296136
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267
2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302400
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122356290
N-[3-tert-butyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(difluoromethylsulfonyl)benzamide
CID 136636760
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122356325

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide (CID 122356295) is 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide is Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
The InChIKey is NSPOJAUHRVFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S/c1-9-13(10(2)20-16(19-9)22(3)4)21-14(23)11-7-5-6-8-12(11)26(24,25)15(17)18/h5-8,15H,1-4H3,(H,21,23).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide?
2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide has a molecular weight of 384.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 122356295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).