N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C26H21BrCl2F3N3O2S — CID 87236051

IUPACN-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCc1c(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C26H21BrCl2F3N3O2S/c1-2-21-23(14-33-38(36,37)15-16-3-7-18(8-4-16)26(30,31)32)34-35(24-12-11-20(28)13-22(24)29)25(21)17-5-9-19(27)10-6-17/h3-13,33H,2,14-15H2,1H3
InChIKeyQLJFRPXSYPVMFK-UHFFFAOYSA-N
MW647.34 g/mol
LogP7.81
Rot. Bonds8

About N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 87236051) has the molecular formula C26H21BrCl2F3N3O2S and a molecular weight of 647.34 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID87236051
Molecular FormulaC26H21BrCl2F3N3O2S
Molecular Weight647.34 g/mol
Exact Mass644.99
IUPAC NameN-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCc1c(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C26H21BrCl2F3N3O2S/c1-2-21-23(14-33-38(36,37)15-16-3-7-18(8-4-16)26(30,31)32)34-35(24-12-11-20(28)13-22(24)29)25(21)17-5-9-19(27)10-6-17/h3-13,33H,2,14-15H2,1H3
InChIKeyQLJFRPXSYPVMFK-UHFFFAOYSA-N
XLogP7.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.34
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-3-chloro-N-methylbenzenesulfonamide
CID 67527788
4-tert-butyl-N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]benzenesulfonamide
CID 67012205
N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 67527632
ethyl 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxylate
CID 18771436
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxamide
CID 123755410
N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 87235773
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 66844365
ethyl 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-(2,2,2-trideuterioethyl)pyrazole-3-carboxylate
CID 87607226
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-cyclobutyl-1,3,4-oxadiazole
CID 11996193
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfonylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
CID 58361089
5-(4-bromophenyl)-3-(2-cyclohexylethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
CID 59747719
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 87236051) is N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CCc1c(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is QLJFRPXSYPVMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrCl2F3N3O2S/c1-2-21-23(14-33-38(36,37)15-16-3-7-18(8-4-16)26(30,31)32)34-35(24-12-11-20(28)13-22(24)29)25(21)17-5-9-19(27)10-6-17/h3-13,33H,2,14-15H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 647.34 g/mol, XLogP of 7.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 87236051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).