4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

C23H22N4O2S — CID 166490599

IUPAC4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H22N4O2S/c1-3-16-14-19(22-15(2)26-27-23(22)18-10-12-25-13-11-18)6-9-21(16)17-4-7-20(8-5-17)30(24,28)29/h4-14H,3H2,1-2H3,(H,26,27)(H2,24,28,29)
InChIKeyLYJZLHNLQROYAG-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.32
Rot. Bonds5

About 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide

4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166490599) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166490599
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H22N4O2S/c1-3-16-14-19(22-15(2)26-27-23(22)18-10-12-25-13-11-18)6-9-21(16)17-4-7-20(8-5-17)30(24,28)29/h4-14H,3H2,1-2H3,(H,26,27)(H2,24,28,29)
InChIKeyLYJZLHNLQROYAG-UHFFFAOYSA-N
XLogP4.32
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 24864527
CID 24864527
CID 56662356
CID 56662356
CID 118660675
CID 118660675
CID 155424832
CID 155424832
CID 166490564
CID 166490564
CID 166490568
CID 166490568
CID 166490570
CID 166490570
CID 166490572
CID 166490572
CID 166490574
CID 166490574
CID 166490576
CID 166490576
CID 166490584
CID 166490584
CID 166490601
CID 166490601

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 166490599) is 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is CCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is LYJZLHNLQROYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-3-16-14-19(22-15(2)26-27-23(22)18-10-12-25-13-11-18)6-9-21(16)17-4-7-20(8-5-17)30(24,28)29/h4-14H,3H2,1-2H3,(H,26,27)(H2,24,28,29).
What are the key properties of 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166490599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).