4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C23H22FN3O2S — CID 17129645

IUPAC4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccc(F)c3)C2)c1
InChIInChI=1S/C23H22FN3O2S/c1-15-6-7-16(2)21(12-15)22-14-23(17-4-3-5-18(24)13-17)27(26-22)19-8-10-20(11-9-19)30(25,28)29/h3-13,23H,14H2,1-2H3,(H2,25,28,29)
InChIKeyJJQFSZPOBVDKMC-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.45
Rot. Bonds4

About 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 17129645) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID17129645
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccc(F)c3)C2)c1
InChIInChI=1S/C23H22FN3O2S/c1-15-6-7-16(2)21(12-15)22-14-23(17-4-3-5-18(24)13-17)27(26-22)19-8-10-20(11-9-19)30(25,28)29/h3-13,23H,14H2,1-2H3,(H2,25,28,29)
InChIKeyJJQFSZPOBVDKMC-UHFFFAOYSA-N
XLogP4.45
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-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

4-[5-(4-bromophenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 17129271
4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 159537183
4-[5-(3-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 42628036
1-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 46031220
4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 166451571
1-[(3R)-5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 93227974
(5S,10bS)-9-chloro-2-(2,5-dimethylphenyl)-5-(3-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7574509
(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160988
4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 16832268
4-[5-(3-iodophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 122192049
(3S)-3-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
CID 100750452
4-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 71597509

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 17129645) is 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is Cc1ccc(C)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccc(F)c3)C2)c1.
What is the InChIKey of 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is JJQFSZPOBVDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-15-6-7-16(2)21(12-15)22-14-23(17-4-3-5-18(24)13-17)27(26-22)19-8-10-20(11-9-19)30(25,28)29/h3-13,23H,14H2,1-2H3,(H2,25,28,29).
What are the key properties of 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 423.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 17129645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).