2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid

C22H19N3O4S — CID 91969569

IUPAC2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H19N3O4S/c23-30(28,29)17-12-10-16(11-13-17)25-21(18-8-4-5-9-19(18)22(26)27)14-20(24-25)15-6-2-1-3-7-15/h1-13,21H,14H2,(H,26,27)(H2,23,28,29)
InChIKeyDXTJHUASRINHOD-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.39
Rot. Bonds5

About 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid

2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid (PubChem CID 91969569) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid
PubChem CID91969569
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H19N3O4S/c23-30(28,29)17-12-10-16(11-13-17)25-21(18-8-4-5-9-19(18)22(26)27)14-20(24-25)15-6-2-1-3-7-15/h1-13,21H,14H2,(H,26,27)(H2,23,28,29)
InChIKeyDXTJHUASRINHOD-UHFFFAOYSA-N
XLogP3.39
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 16832268
4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 166451571
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-[(3R)-3-(1,3-dimethylpyrazol-4-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 136792294
4-[3-(1,5-dimethylpyrazol-4-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 136835847
4-[3-(5-bromo-2-hydroxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 121225773
4-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 171343851
4-[5-(3-iodophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 122192049
4-[5-(4-bromophenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 17129271
4-[5-(3,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 155812867
4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 162660957
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841

Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid?
The IUPAC name of 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid (CID 91969569) is 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid.
What is the SMILES notation for 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid?
The canonical SMILES for 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid is NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid?
The InChIKey is DXTJHUASRINHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c23-30(28,29)17-12-10-16(11-13-17)25-21(18-8-4-5-9-19(18)22(26)27)14-20(24-25)15-6-2-1-3-7-15/h1-13,21H,14H2,(H,26,27)(H2,23,28,29).
What are the key properties of 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid?
2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid has a molecular weight of 421.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-3-yl]benzoic acid is sourced from PubChem (CID 91969569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).