(2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C20H19F3N4O3S — CID 55941554

IUPAC(2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H19F3N4O3S/c1-14(26-31(29,30)17-10-6-5-9-16(17)20(21,22)23)19(28)25-18-11-12-24-27(18)13-15-7-3-2-4-8-15/h2-12,14,26H,13H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyIAXXIPFQMMFXIS-AWEZNQCLSA-N
MW452.46 g/mol
LogP3.26
Rot. Bonds7

About (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 55941554) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID55941554
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC Name(2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H19F3N4O3S/c1-14(26-31(29,30)17-10-6-5-9-16(17)20(21,22)23)19(28)25-18-11-12-24-27(18)13-15-7-3-2-4-8-15/h2-12,14,26H,13H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyIAXXIPFQMMFXIS-AWEZNQCLSA-N
XLogP3.26
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-methylpyrazol-3-yl)amino]acetamide
CID 44439629
N-[(4-chlorophenyl)methyl]-2-[(2-ethylpyrazol-3-yl)-(4-methylphenyl)sulfonylamino]acetamide
CID 44439630
1-benzyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
CID 57398253
1-[2-Phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)urea
CID 90101618
1-(1-Ethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145410
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 16326279
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CID 16327683
N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 2095800
5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57391103
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 55941554) is (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is IAXXIPFQMMFXIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c1-14(26-31(29,30)17-10-6-5-9-16(17)20(21,22)23)19(28)25-18-11-12-24-27(18)13-15-7-3-2-4-8-15/h2-12,14,26H,13H2,1H3,(H,25,28)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 452.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55941554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).