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

C24H16F2N4O2S — CID 142291665

IUPAC4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc3cc(F)ccc3n2)cc1
InChIInChI=1S/C24H16F2N4O2S/c25-17-4-1-15(2-5-17)23-14-24(22-11-3-16-13-18(26)6-12-21(16)28-22)30(29-23)19-7-9-20(10-8-19)33(27,31)32/h1-14H,(H2,27,31,32)
InChIKeyPEDYJUWCBCQNCZ-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.68
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 142291665) has the molecular formula C24H16F2N4O2S and a molecular weight of 462.48 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID142291665
Molecular FormulaC24H16F2N4O2S
Molecular Weight462.48 g/mol
Exact Mass462.10
IUPAC Name4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc3cc(F)ccc3n2)cc1
InChIInChI=1S/C24H16F2N4O2S/c25-17-4-1-15(2-5-17)23-14-24(22-11-3-16-13-18(26)6-12-21(16)28-22)30(29-23)19-7-9-20(10-8-19)33(27,31)32/h1-14H,(H2,27,31,32)
InChIKeyPEDYJUWCBCQNCZ-UHFFFAOYSA-N
XLogP4.68
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 142291665) is 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc3cc(F)ccc3n2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is PEDYJUWCBCQNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2S/c25-17-4-1-15(2-5-17)23-14-24(22-11-3-16-13-18(26)6-12-21(16)28-22)30(29-23)19-7-9-20(10-8-19)33(27,31)32/h1-14H,(H2,27,31,32).
What are the key properties of 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 462.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 142291665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).