2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C17H15BrF2N6O3S — CID 19519979

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C17H15BrF2N6O3S/c1-10-14(18)15(16(19)20)24-26(10)9-13(27)23-11-3-5-12(6-4-11)30(28,29)25-17-21-7-2-8-22-17/h2-8,16H,9H2,1H3,(H,23,27)(H,21,22,25)
InChIKeyVKBPTEXSUSEBAY-UHFFFAOYSA-N
MW501.31 g/mol
LogP3.12
Rot. Bonds7

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 19519979) has the molecular formula C17H15BrF2N6O3S and a molecular weight of 501.31 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID19519979
Molecular FormulaC17H15BrF2N6O3S
Molecular Weight501.31 g/mol
Exact Mass500.01
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C17H15BrF2N6O3S/c1-10-14(18)15(16(19)20)24-26(10)9-13(27)23-11-3-5-12(6-4-11)30(28,29)25-17-21-7-2-8-22-17/h2-8,16H,9H2,1H3,(H,23,27)(H,21,22,25)
InChIKeyVKBPTEXSUSEBAY-UHFFFAOYSA-N
XLogP3.12
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19525155
2-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19522441
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 19523572
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 108794988
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19520122
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19520059
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 19526692
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520105
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 46772656

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 19519979) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is Cc1c(Br)c(C(F)F)nn1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is VKBPTEXSUSEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N6O3S/c1-10-14(18)15(16(19)20)24-26(10)9-13(27)23-11-3-5-12(6-4-11)30(28,29)25-17-21-7-2-8-22-17/h2-8,16H,9H2,1H3,(H,23,27)(H,21,22,25).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 501.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 19519979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).