4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide

C22H21FN4O2S — CID 108783943

IUPAC4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(C)c2nc(-n3nc(C)cc3NS(=O)(=O)c3ccc(F)cc3)cc(C)c2c1
InChIInChI=1S/C22H21FN4O2S/c1-13-9-15(3)22-19(10-13)14(2)11-20(24-22)27-21(12-16(4)25-27)26-30(28,29)18-7-5-17(23)6-8-18/h5-12,26H,1-4H3
InChIKeyNBILNIPYGQQNRE-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.59
Rot. Bonds4

About 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide

4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 108783943) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
PubChem CID108783943
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(C)c2nc(-n3nc(C)cc3NS(=O)(=O)c3ccc(F)cc3)cc(C)c2c1
InChIInChI=1S/C22H21FN4O2S/c1-13-9-15(3)22-19(10-13)14(2)11-20(24-22)27-21(12-16(4)25-27)26-30(28,29)18-7-5-17(23)6-8-18/h5-12,26H,1-4H3
InChIKeyNBILNIPYGQQNRE-UHFFFAOYSA-N
XLogP4.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108806624
2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate
CID 108746882
6-chloro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1,3-benzothiazol-2-amine
CID 108778922
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 108778926
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzamide
CID 108746898
N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108778919
ethyl 4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994554
1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 108769084
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzenesulfonamide
CID 16934102
dimethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzene-1,3-dicarboxylate
CID 138994558
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide (CID 108783943) is 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide is Cc1cc(C)c2nc(-n3nc(C)cc3NS(=O)(=O)c3ccc(F)cc3)cc(C)c2c1.
What is the InChIKey of 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is NBILNIPYGQQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-13-9-15(3)22-19(10-13)14(2)11-20(24-22)27-21(12-16(4)25-27)26-30(28,29)18-7-5-17(23)6-8-18/h5-12,26H,1-4H3.
What are the key properties of 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 424.50 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 108783943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).