4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

C24H19F4N3O3S — CID 19355348

IUPAC4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C(F)(F)F)cc1F
InChIInChI=1S/C24H19F4N3O3S/c1-34-20-12-9-17(13-19(20)25)21-22(16-7-10-18(11-8-16)35(29,32)33)30-31(23(21)24(26,27)28)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,29,32,33)
InChIKeyNDLMQNVGDQJMBB-UHFFFAOYSA-N
MW505.49 g/mol
LogP5.08
Rot. Bonds6

About 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355348) has the molecular formula C24H19F4N3O3S and a molecular weight of 505.49 g/mol. Its IUPAC name is 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355348
Molecular FormulaC24H19F4N3O3S
Molecular Weight505.49 g/mol
Exact Mass505.11
IUPAC Name4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C(F)(F)F)cc1F
InChIInChI=1S/C24H19F4N3O3S/c1-34-20-12-9-17(13-19(20)25)21-22(16-7-10-18(11-8-16)35(29,32)33)30-31(23(21)24(26,27)28)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,29,32,33)
InChIKeyNDLMQNVGDQJMBB-UHFFFAOYSA-N
XLogP5.08
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide 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

Deracoxib
CID 3058754
1-(4-Methoxyphenyl)-3-(trifluoromethyl)-5-(4-sulfamoylphenyl)-1H-pyrazole
CID 10786971
4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9865547
4-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 9929697
4-[5-(3,5-Difluoro-4-methoxy-phenyl)-3-difluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10835645
N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 24768971
4-[5-(4-(111C)methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 54770966
1-(4-Aminosulfonylphenyl)-3-(4-methoxyphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15i)
CID 118855483
1-(4-Aminosulfonylphenyl)-3-(4-ethoxyphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15j)
CID 118855484
3-Fluoro-4-[5-(4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9888058
US9156811, Ddd100140
CID 58561166
N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1489332

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 19355348) is 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C(F)(F)F)cc1F.
What is the InChIKey of 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is NDLMQNVGDQJMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3S/c1-34-20-12-9-17(13-19(20)25)21-22(16-7-10-18(11-8-16)35(29,32)33)30-31(23(21)24(26,27)28)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,29,32,33).
What are the key properties of 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 505.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).