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

C19H16ClF3N4O3S2 — CID 50790597

IUPAC2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCSc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(N)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClF3N4O3S2/c1-31-18-16(32(29,30)12-8-6-11(20)7-9-12)17(24)27(26-18)10-15(28)25-14-5-3-2-4-13(14)19(21,22)23/h2-9H,10,24H2,1H3,(H,25,28)
InChIKeyJMAVFNIZUWNWPW-UHFFFAOYSA-N
MW504.94 g/mol
LogP4.33
Rot. Bonds6

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

2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 50790597) has the molecular formula C19H16ClF3N4O3S2 and a molecular weight of 504.94 g/mol. Its IUPAC name is 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID50790597
Molecular FormulaC19H16ClF3N4O3S2
Molecular Weight504.94 g/mol
Exact Mass504.03
IUPAC Name2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCSc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(N)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClF3N4O3S2/c1-31-18-16(32(29,30)12-8-6-11(20)7-9-12)17(24)27(26-18)10-15(28)25-14-5-3-2-4-13(14)19(21,22)23/h2-9H,10,24H2,1H3,(H,25,28)
InChIKeyJMAVFNIZUWNWPW-UHFFFAOYSA-N
XLogP4.33
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.94
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 50790506
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
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-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
2-[5-amino-3-ethylsulfanyl-4-(4-methoxyphenyl)sulfonylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 18592165
2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520689
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
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 20850358

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 50790597) is 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CSc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(N)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JMAVFNIZUWNWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O3S2/c1-31-18-16(32(29,30)12-8-6-11(20)7-9-12)17(24)27(26-18)10-15(28)25-14-5-3-2-4-13(14)19(21,22)23/h2-9H,10,24H2,1H3,(H,25,28).
What are the key properties of 2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 504.94 g/mol, XLogP of 4.33, 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-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 50790597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).