2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole

C22H19FN2O2S — CID 3703807

IUPAC2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C22H19FN2O2S/c1-16-11-13-17(14-12-16)21-15-22(19-9-5-6-10-20(19)23)25(24-21)28(26,27)18-7-3-2-4-8-18/h2-14,22H,15H2,1H3
InChIKeyQIDLMQSLSRENAC-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.67
Rot. Bonds4

About 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole

2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole (PubChem CID 3703807) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
PubChem CID3703807
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C22H19FN2O2S/c1-16-11-13-17(14-12-16)21-15-22(19-9-5-6-10-20(19)23)25(24-21)28(26,27)18-7-3-2-4-8-18/h2-14,22H,15H2,1H3
InChIKeyQIDLMQSLSRENAC-UHFFFAOYSA-N
XLogP4.67
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine
CID 10454374
6-(4-butylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
CID 10767121
6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
CID 10837416
4-[2-(2-Fluorophenyl)sulfonyl-3,4,5,6-tetrahydrodiazepin-7-yl]benzonitrile
CID 44413631
2-(5-Fluoro-2-methylphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydrodiazepine
CID 44527437
2-(4-Methylphenyl)sulfonyl-3-naphthalen-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 118706119
5-(2-fluorophenyl)-3-phenyl-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole
CID 2914785
3-(2,5-Difluoro-phenyl)-1-methanesulfonyl-5-phenyl-4,5-dihydro-1H-pyrazole
CID 10172108
3,5-diphenyl-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole
CID 2952925
2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine
CID 10570269
2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine
CID 10572108
2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine
CID 10572969

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole (CID 3703807) is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole is Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccccc3F)C2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The InChIKey is QIDLMQSLSRENAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-16-11-13-17(14-12-16)21-15-22(19-9-5-6-10-20(19)23)25(24-21)28(26,27)18-7-3-2-4-8-18/h2-14,22H,15H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole has a molecular weight of 394.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3703807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).