4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide

C24H25FN4O3S — CID 71731691

IUPAC4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12
InChIInChI=1S/C24H25FN4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23/h6-14,28H,1-5H3
InChIKeyAPTYKFYFUUVOHG-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.97
Rot. Bonds5

About 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide

4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 71731691) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
PubChem CID71731691
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12
InChIInChI=1S/C24H25FN4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23/h6-14,28H,1-5H3
InChIKeyAPTYKFYFUUVOHG-UHFFFAOYSA-N
XLogP4.97
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide (CID 71731691) is 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide is COc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12.
What is the InChIKey of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is APTYKFYFUUVOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23/h6-14,28H,1-5H3.
What are the key properties of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 468.55 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71731691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).