2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

C21H18F3N5O3S — CID 55548337

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H18F3N5O3S/c1-14-10-19(29(27-14)17-5-3-4-16(11-17)21(22,23)24)26-20(30)13-28(2)33(31,32)18-8-6-15(12-25)7-9-18/h3-11H,13H2,1-2H3,(H,26,30)
InChIKeyRORBCCNUTVNAAL-UHFFFAOYSA-N
MW477.47 g/mol
LogP3.33
Rot. Bonds6

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 55548337) has the molecular formula C21H18F3N5O3S and a molecular weight of 477.47 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
PubChem CID55548337
Molecular FormulaC21H18F3N5O3S
Molecular Weight477.47 g/mol
Exact Mass477.11
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H18F3N5O3S/c1-14-10-19(29(27-14)17-5-3-4-16(11-17)21(22,23)24)26-20(30)13-28(2)33(31,32)18-8-6-15(12-25)7-9-18/h3-11H,13H2,1-2H3,(H,26,30)
InChIKeyRORBCCNUTVNAAL-UHFFFAOYSA-N
XLogP3.33
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55543607
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 38936658
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 55534083
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574732
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55507980
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 55548337) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The InChIKey is RORBCCNUTVNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3S/c1-14-10-19(29(27-14)17-5-3-4-16(11-17)21(22,23)24)26-20(30)13-28(2)33(31,32)18-8-6-15(12-25)7-9-18/h3-11H,13H2,1-2H3,(H,26,30).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 477.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55548337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).