2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C17H17ClN6O3S — CID 19525155

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1Cl
InChIInChI=1S/C17H17ClN6O3S/c1-11-16(18)12(2)24(22-11)10-15(25)21-13-4-6-14(7-5-13)28(26,27)23-17-19-8-3-9-20-17/h3-9H,10H2,1-2H3,(H,21,25)(H,19,20,23)
InChIKeyJJJKIOFOYDEAJP-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 19525155) has the molecular formula C17H17ClN6O3S and a molecular weight of 420.88 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID19525155
Molecular FormulaC17H17ClN6O3S
Molecular Weight420.88 g/mol
Exact Mass420.08
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1Cl
InChIInChI=1S/C17H17ClN6O3S/c1-11-16(18)12(2)24(22-11)10-15(25)21-13-4-6-14(7-5-13)28(26,27)23-17-19-8-3-9-20-17/h3-9H,10H2,1-2H3,(H,21,25)(H,19,20,23)
InChIKeyJJJKIOFOYDEAJP-UHFFFAOYSA-N
XLogP2.38
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.38
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]propanamide
CID 19537824
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19519979
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55810725
2-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19522441
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 108794988
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 19525102
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 55811462
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 19525155) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is JJJKIOFOYDEAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3S/c1-11-16(18)12(2)24(22-11)10-15(25)21-13-4-6-14(7-5-13)28(26,27)23-17-19-8-3-9-20-17/h3-9H,10H2,1-2H3,(H,21,25)(H,19,20,23).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 420.88 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 19525155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).