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

C22H18ClN3O4S2 — CID 171355696

IUPAC4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H18ClN3O4S2/c1-31(27,28)19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)32(24,29)30/h2-14H,1H3,(H2,24,29,30)
InChIKeyOWVZKYQOBHROLK-UHFFFAOYSA-N
MW487.99 g/mol
LogP3.91
Rot. Bonds5

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

4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 171355696) has the molecular formula C22H18ClN3O4S2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID171355696
Molecular FormulaC22H18ClN3O4S2
Molecular Weight487.99 g/mol
Exact Mass487.04
IUPAC Name4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H18ClN3O4S2/c1-31(27,28)19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)32(24,29)30/h2-14H,1H3,(H2,24,29,30)
InChIKeyOWVZKYQOBHROLK-UHFFFAOYSA-N
XLogP3.91
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 171355696) is 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OWVZKYQOBHROLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4S2/c1-31(27,28)19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)32(24,29)30/h2-14H,1H3,(H2,24,29,30).
What are the key properties of 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 487.99 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 171355696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).