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

C23H23N3O2S — CID 166451571

IUPAC4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-17-8-10-18(11-9-17)22-16-23(19-6-4-3-5-7-19)26(25-22)20-12-14-21(15-13-20)29(24,27)28/h3-15,23H,2,16H2,1H3,(H2,24,27,28)
InChIKeyVEYZRWJRVOUZDX-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.25
Rot. Bonds5

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

4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 166451571) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID166451571
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-17-8-10-18(11-9-17)22-16-23(19-6-4-3-5-7-19)26(25-22)20-12-14-21(15-13-20)29(24,27)28/h3-15,23H,2,16H2,1H3,(H2,24,27,28)
InChIKeyVEYZRWJRVOUZDX-UHFFFAOYSA-N
XLogP4.25
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 166451571) is 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is CCc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is VEYZRWJRVOUZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-17-8-10-18(11-9-17)22-16-23(19-6-4-3-5-7-19)26(25-22)20-12-14-21(15-13-20)29(24,27)28/h3-15,23H,2,16H2,1H3,(H2,24,27,28).
What are the key properties of 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 166451571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).