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

C23H23N3O4S — CID 2971684

IUPAC4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C23H23N3O4S/c1-29-22-13-8-17(14-23(22)30-2)21-15-20(16-6-4-3-5-7-16)25-26(21)18-9-11-19(12-10-18)31(24,27)28/h3-14,21H,15H2,1-2H3,(H2,24,27,28)
InChIKeyYEWYWWRBZDDFMO-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.71
Rot. Bonds6

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

4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 2971684) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID2971684
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C23H23N3O4S/c1-29-22-13-8-17(14-23(22)30-2)21-15-20(16-6-4-3-5-7-16)25-26(21)18-9-11-19(12-10-18)31(24,27)28/h3-14,21H,15H2,1-2H3,(H2,24,27,28)
InChIKeyYEWYWWRBZDDFMO-UHFFFAOYSA-N
XLogP3.71
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 2971684) is 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is YEWYWWRBZDDFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-29-22-13-8-17(14-23(22)30-2)21-15-20(16-6-4-3-5-7-16)25-26(21)18-9-11-19(12-10-18)31(24,27)28/h3-14,21H,15H2,1-2H3,(H2,24,27,28).
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 2971684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).