4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide

C24H22FN5O2S — CID 71731830

IUPAC4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2ccc(C#N)c3ncccc23)n1
InChIInChI=1S/C24H22FN5O2S/c1-15-12-22(29-33(31,32)17-8-9-19(20(25)13-17)24(2,3)4)30(28-15)21-10-7-16(14-26)23-18(21)6-5-11-27-23/h5-13,29H,1-4H3
InChIKeyKIPMKGUFUYBZGA-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.84
Rot. Bonds4

About 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide

4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide (PubChem CID 71731830) has the molecular formula C24H22FN5O2S and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide
PubChem CID71731830
Molecular FormulaC24H22FN5O2S
Molecular Weight463.54 g/mol
Exact Mass463.15
IUPAC Name4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2ccc(C#N)c3ncccc23)n1
InChIInChI=1S/C24H22FN5O2S/c1-15-12-22(29-33(31,32)17-8-9-19(20(25)13-17)24(2,3)4)30(28-15)21-10-7-16(14-26)23-18(21)6-5-11-27-23/h5-13,29H,1-4H3
InChIKeyKIPMKGUFUYBZGA-UHFFFAOYSA-N
XLogP4.84
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide (CID 71731830) is 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2ccc(C#N)c3ncccc23)n1.
What is the InChIKey of 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide?
The InChIKey is KIPMKGUFUYBZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2S/c1-15-12-22(29-33(31,32)17-8-9-19(20(25)13-17)24(2,3)4)30(28-15)21-10-7-16(14-26)23-18(21)6-5-11-27-23/h5-13,29H,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide?
4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide has a molecular weight of 463.54 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(8-cyanoquinolin-5-yl)-5-methylpyrazol-3-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 71731830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).