2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide

C18H15Cl2N3O3S — CID 11517452

IUPAC2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15Cl2N3O3S/c1-12-9-16(23(21-12)15-4-2-3-14(20)10-15)11-18(24)22-27(25,26)17-7-5-13(19)6-8-17/h2-10H,11H2,1H3,(H,22,24)
InChIKeyHCRNYCQFEVUNHU-UHFFFAOYSA-N
MW424.31 g/mol
LogP3.54
Rot. Bonds5

About 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide

2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide (PubChem CID 11517452) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
PubChem CID11517452
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15Cl2N3O3S/c1-12-9-16(23(21-12)15-4-2-3-14(20)10-15)11-18(24)22-27(25,26)17-7-5-13(19)6-8-17/h2-10H,11H2,1H3,(H,22,24)
InChIKeyHCRNYCQFEVUNHU-UHFFFAOYSA-N
XLogP3.54
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 87894255
N-(4-methoxyphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 11545489
N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 11640195
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 55493759
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 38936658
methyl 3-[[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994607
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide (CID 11517452) is 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide is Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is HCRNYCQFEVUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c1-12-9-16(23(21-12)15-4-2-3-14(20)10-15)11-18(24)22-27(25,26)17-7-5-13(19)6-8-17/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide?
2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 424.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 11517452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).