4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

C22H18FN3O3S — CID 171353208

IUPAC4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-29-19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)30(24,27)28/h2-14H,1H3,(H2,24,27,28)
InChIKeyYGUWQCXGKFZOKT-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.00
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 171353208) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID171353208
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H18FN3O3S/c1-29-19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)30(24,27)28/h2-14H,1H3,(H2,24,27,28)
InChIKeyYGUWQCXGKFZOKT-UHFFFAOYSA-N
XLogP4.00
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 171353208) is 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YGUWQCXGKFZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-29-19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)30(24,27)28/h2-14H,1H3,(H2,24,27,28).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 423.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 171353208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).