4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C23H20F3N3O3S — CID 118855471

IUPAC4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C23H20F3N3O3S/c1-32-19-10-4-15(5-11-19)21-14-22(16-2-6-17(7-3-16)23(24,25)26)29(28-21)18-8-12-20(13-9-18)33(27,30)31/h2-13,22H,14H2,1H3,(H2,27,30,31)
InChIKeyIMNZRENZKRLXGZ-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.72
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 118855471) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID118855471
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC Name4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C23H20F3N3O3S/c1-32-19-10-4-15(5-11-19)21-14-22(16-2-6-17(7-3-16)23(24,25)26)29(28-21)18-8-12-20(13-9-18)33(27,30)31/h2-13,22H,14H2,1H3,(H2,27,30,31)
InChIKeyIMNZRENZKRLXGZ-UHFFFAOYSA-N
XLogP4.72
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-(4-bromophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CID 44216842
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CID 2950007
4-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]benzenesulfonamide
CID 42628051
4-(3-(4-Phenyl ethyl oxygen)-5-(2-hydroxyphenyl)-4, 5-dihydro pyrazole) benzene sulfonamide (4c)
CID 118796658
3-(4-Ethoxyphenyl)-1-(4-methanesulfonylphenyl)-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazole (14d)
CID 118855466
6-(4'-Methoxyphenyl)-2-benzenesulfonamide-4,5-dihydropyridazine-3(2H)-one
CID 54613732
4-[5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 168280622
4-[5-[4-(Trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 168282379
4-[5-[4-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 168290130
4-[5-[4-(Trifluoromethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 168295626
4-[3-(3,4-Dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 2971684
4-[5-(4-Methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]benzenesulfonamide
CID 44143712

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 118855471) is 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(C(F)(F)F)cc3)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is IMNZRENZKRLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c1-32-19-10-4-15(5-11-19)21-14-22(16-2-6-17(7-3-16)23(24,25)26)29(28-21)18-8-12-20(13-9-18)33(27,30)31/h2-13,22H,14H2,1H3,(H2,27,30,31).
What are the key properties of 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 475.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 118855471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).