4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

C25H19FN4O3S — CID 142291664

IUPAC4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C25H19FN4O3S/c1-33-20-8-2-16(3-9-20)24-15-25(23-12-4-17-14-18(26)5-13-22(17)28-23)30(29-24)19-6-10-21(11-7-19)34(27,31)32/h2-15H,1H3,(H2,27,31,32)
InChIKeySJSCEEUHMDAMGJ-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.55
Rot. Bonds5

About 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 142291664) has the molecular formula C25H19FN4O3S and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID142291664
Molecular FormulaC25H19FN4O3S
Molecular Weight474.52 g/mol
Exact Mass474.12
IUPAC Name4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C25H19FN4O3S/c1-33-20-8-2-16(3-9-20)24-15-25(23-12-4-17-14-18(26)5-13-22(17)28-23)30(29-24)19-6-10-21(11-7-19)34(27,31)32/h2-15H,1H3,(H2,27,31,32)
InChIKeySJSCEEUHMDAMGJ-UHFFFAOYSA-N
XLogP4.55
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 142291664) is 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is SJSCEEUHMDAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3S/c1-33-20-8-2-16(3-9-20)24-15-25(23-12-4-17-14-18(26)5-13-22(17)28-23)30(29-24)19-6-10-21(11-7-19)34(27,31)32/h2-15H,1H3,(H2,27,31,32).
What are the key properties of 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 474.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-fluoroquinolin-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 142291664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).