N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide

C21H21FN4O2S — CID 4973782

IUPACN-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide
SMILESCCCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C21H21FN4O2S/c1-3-4-11-26-21-18(13-15-6-5-14(2)12-19(15)23-21)20(24-26)25-29(27,28)17-9-7-16(22)8-10-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)
InChIKeyDULVFULWYNJVFB-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.63
Rot. Bonds6

About N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide

N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 4973782) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide
PubChem CID4973782
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC NameN-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide
SMILESCCCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C21H21FN4O2S/c1-3-4-11-26-21-18(13-15-6-5-14(2)12-19(15)23-21)20(24-26)25-29(27,28)17-9-7-16(22)8-10-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)
InChIKeyDULVFULWYNJVFB-UHFFFAOYSA-N
XLogP4.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)sulfamoyl]phenyl]acetamide
CID 4904116
4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
CID 4893874
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 55912071
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide
CID 4903236
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1414949
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 3597119
N-[3-(benzenesulfonyl)-1-butylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3787408

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide (CID 4973782) is N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide is CCCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21.
What is the InChIKey of N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is DULVFULWYNJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-3-4-11-26-21-18(13-15-6-5-14(2)12-19(15)23-21)20(24-26)25-29(27,28)17-9-7-16(22)8-10-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25).
What are the key properties of N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide?
N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 412.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 4973782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).