2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide

C19H19ClN4O3S2 — CID 50790506

IUPAC2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19ClN4O3S2/c1-12-7-9-13(10-8-12)29(26,27)17-18(21)24(23-19(17)28-2)11-16(25)22-15-6-4-3-5-14(15)20/h3-10H,11,21H2,1-2H3,(H,22,25)
InChIKeyXEZHXEVAUOFSGP-UHFFFAOYSA-N
MW450.97 g/mol
LogP3.62
Rot. Bonds6

About 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide

2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 50790506) has the molecular formula C19H19ClN4O3S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID50790506
Molecular FormulaC19H19ClN4O3S2
Molecular Weight450.97 g/mol
Exact Mass450.06
IUPAC Name2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19ClN4O3S2/c1-12-7-9-13(10-8-12)29(26,27)17-18(21)24(23-19(17)28-2)11-16(25)22-15-6-4-3-5-14(15)20/h3-10H,11,21H2,1-2H3,(H,22,25)
InChIKeyXEZHXEVAUOFSGP-UHFFFAOYSA-N
XLogP3.62
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 50790597
2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 42585199
2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-bromophenyl)acetamide
CID 50790583
ethyl 2-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate
CID 50790380
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50790606
2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 50790543
2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 91623371
2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 50790450
2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 18591622
N-(3-acetylphenyl)-2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetamide
CID 50790553
2-[5-amino-3-ethylsulfanyl-4-(4-methoxyphenyl)sulfonylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 18592165

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide (CID 50790506) is 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide is CSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is XEZHXEVAUOFSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S2/c1-12-7-9-13(10-8-12)29(26,27)17-18(21)24(23-19(17)28-2)11-16(25)22-15-6-4-3-5-14(15)20/h3-10H,11,21H2,1-2H3,(H,22,25).
What are the key properties of 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide?
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 450.97 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 50790506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).