4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide

C22H18ClN3O2S2 — CID 54306976

IUPAC4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H18ClN3O2S2/c1-29-22-5-3-2-4-19(22)21-14-20(15-6-8-16(23)9-7-15)25-26(21)17-10-12-18(13-11-17)30(24,27)28/h2-14H,1H3,(H2,24,27,28)
InChIKeySIFDSNZOIDFOFH-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.23
Rot. Bonds5

About 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 54306976) has the molecular formula C22H18ClN3O2S2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID54306976
Molecular FormulaC22H18ClN3O2S2
Molecular Weight455.99 g/mol
Exact Mass455.05
IUPAC Name4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H18ClN3O2S2/c1-29-22-5-3-2-4-19(22)21-14-20(15-6-8-16(23)9-7-15)25-26(21)17-10-12-18(13-11-17)30(24,27)28/h2-14H,1H3,(H2,24,27,28)
InChIKeySIFDSNZOIDFOFH-UHFFFAOYSA-N
XLogP5.23
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 54306976) is 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide is CSc1ccccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is SIFDSNZOIDFOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S2/c1-29-22-5-3-2-4-19(22)21-14-20(15-6-8-16(23)9-7-15)25-26(21)17-10-12-18(13-11-17)30(24,27)28/h2-14H,1H3,(H2,24,27,28).
What are the key properties of 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 455.99 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 54306976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).