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

C19H17F3N4O3S — CID 43069494

IUPACN-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O3S/c1-12-11-18(23-13(2)27)26(24-12)15-9-7-14(8-10-15)25-30(28,29)17-6-4-3-5-16(17)19(20,21)22/h3-11,25H,1-2H3,(H,23,27)
InChIKeyDPQAZDABHLVWDL-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.96
Rot. Bonds5

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

N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide (PubChem CID 43069494) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide
PubChem CID43069494
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC NameN-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O3S/c1-12-11-18(23-13(2)27)26(24-12)15-9-7-14(8-10-15)25-30(28,29)17-6-4-3-5-16(17)19(20,21)22/h3-11,25H,1-2H3,(H,23,27)
InChIKeyDPQAZDABHLVWDL-UHFFFAOYSA-N
XLogP3.96
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{5-Phenyl-3-[3-(3-trifluoromethyl-phenyl)-ureido]-pyrazol-1-yl}-benzenesulfonamide
CID 52951272
N''-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenyl-3-pyrazolyl)benzenecarboximidamide
CID 6216001
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-fluoro-benzenesulfonamide
CID 44312955
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-trifluoromethyl-benzenesulfonamide
CID 44312968
1-Cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
CID 162663050
COX-2/sEH-IN-1
CID 162666184
N-(4-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]sulfonyl}phenyl)acetamide
CID 2815270
N-{3-[4-(acetylamino)phenyl]-1-phenyl-1H-pyrazol-5-yl}acetamide
CID 778690
N-{1-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]-3-pyrazolyl}acetamide
CID 10619341
4-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 778683
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 2348506
3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2360044

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide (CID 43069494) is N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
The InChIKey is DPQAZDABHLVWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-12-11-18(23-13(2)27)26(24-12)15-9-7-14(8-10-15)25-30(28,29)17-6-4-3-5-16(17)19(20,21)22/h3-11,25H,1-2H3,(H,23,27).
What are the key properties of N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide has a molecular weight of 438.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 43069494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).