4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C16H12ClF3N6O3S — CID 19267893

IUPAC4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C16H12ClF3N6O3S/c1-26-13(16(18,19)20)11(17)12(24-26)14(27)23-9-3-5-10(6-4-9)30(28,29)25-15-21-7-2-8-22-15/h2-8H,1H3,(H,23,27)(H,21,22,25)
InChIKeyMHQFZQVBFADESJ-UHFFFAOYSA-N
MW460.83 g/mol
LogP2.94
Rot. Bonds5

About 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267893) has the molecular formula C16H12ClF3N6O3S and a molecular weight of 460.83 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267893
Molecular FormulaC16H12ClF3N6O3S
Molecular Weight460.83 g/mol
Exact Mass460.03
IUPAC Name4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C16H12ClF3N6O3S/c1-26-13(16(18,19)20)11(17)12(24-26)14(27)23-9-3-5-10(6-4-9)30(28,29)25-15-21-7-2-8-22-15/h2-8H,1H3,(H,23,27)(H,21,22,25)
InChIKeyMHQFZQVBFADESJ-UHFFFAOYSA-N
XLogP2.94
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.83
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451479
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477450
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19525155
2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43876591
N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 118903633
4-chloro-N-(2,3-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267839

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267893) is 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is MHQFZQVBFADESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N6O3S/c1-26-13(16(18,19)20)11(17)12(24-26)14(27)23-9-3-5-10(6-4-9)30(28,29)25-15-21-7-2-8-22-15/h2-8H,1H3,(H,23,27)(H,21,22,25).
What are the key properties of 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 460.83 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).