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

C22H18ClN3O2S2 — CID 23215863

IUPACN-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H18ClN3O2S2/c1-29-22-10-6-5-9-19(22)20-15-21(16-11-13-17(23)14-12-16)26(24-20)25-30(27,28)18-7-3-2-4-8-18/h2-15,25H,1H3
InChIKeyQWMSKALQYHWACT-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.52
Rot. Bonds6

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

N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23215863) has the molecular formula C22H18ClN3O2S2 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23215863
Molecular FormulaC22H18ClN3O2S2
Molecular Weight455.99 g/mol
Exact Mass455.05
IUPAC NameN-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C22H18ClN3O2S2/c1-29-22-10-6-5-9-19(22)20-15-21(16-11-13-17(23)14-12-16)26(24-20)25-30(27,28)18-7-3-2-4-8-18/h2-15,25H,1H3
InChIKeyQWMSKALQYHWACT-UHFFFAOYSA-N
XLogP5.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-chlorophenyl)-3-(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 N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 23215863) is N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide is CSc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is QWMSKALQYHWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S2/c1-29-22-10-6-5-9-19(22)20-15-21(16-11-13-17(23)14-12-16)26(24-20)25-30(27,28)18-7-3-2-4-8-18/h2-15,25H,1H3.
What are the key properties of N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 455.99 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23215863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).