4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C42H36ClFN6O4S2 — CID 159537183

IUPAC4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2cccc(F)c2)cc1
InChIInChI=1S/C21H18ClN3O2S.C21H18FN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27;22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24-25(21)18-9-11-19(12-10-18)28(23,26)27/h2*1-13,21H,14H2,(H2,23,26,27)
InChIKeyMDSWNIIFDIZORJ-UHFFFAOYSA-N
MW807.37 g/mol
LogP8.17
Rot. Bonds8

About 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 159537183) has the molecular formula C42H36ClFN6O4S2 and a molecular weight of 807.37 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID159537183
Molecular FormulaC42H36ClFN6O4S2
Molecular Weight807.37 g/mol
Exact Mass806.19
IUPAC Name4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2cccc(F)c2)cc1
InChIInChI=1S/C21H18ClN3O2S.C21H18FN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27;22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24-25(21)18-9-11-19(12-10-18)28(23,26)27/h2*1-13,21H,14H2,(H2,23,26,27)
InChIKeyMDSWNIIFDIZORJ-UHFFFAOYSA-N
XLogP8.17
TPSA151.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.37
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide with MolForge

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Related Compounds

4-[5-(4-bromophenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 17129271
4-[5-(3-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 42628036
4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 166451571
4-[3-(4-chlorophenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 126842653
4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 17129645
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-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid
CID 91969569
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 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) is 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2cccc(F)c2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is MDSWNIIFDIZORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S.C21H18FN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27;22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24-25(21)18-9-11-19(12-10-18)28(23,26)27/h2*1-13,21H,14H2,(H2,23,26,27).
What are the key properties of 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 807.37 g/mol, XLogP of 8.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 159537183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).