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

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Related Compounds

4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67743721
4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 70280423
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580684
4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane
CID 142913120
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
CID 54612981
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215863
4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 118855485
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 2742747
N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide
CID 135585511

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).