5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one

C16H9ClFN3O3S — CID 67505326

IUPAC5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClFN3O3S/c17-9-1-4-11(5-2-9)25(23,24)21-14-6-3-10(18)7-12(14)15-13(16(21)22)8-19-20-15/h1-8H,(H,19,20)
InChIKeyBKTPOPGUJOLXIT-UHFFFAOYSA-N
MW377.78 g/mol
LogP2.91
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one

5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 67505326) has the molecular formula C16H9ClFN3O3S and a molecular weight of 377.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID67505326
Molecular FormulaC16H9ClFN3O3S
Molecular Weight377.78 g/mol
Exact Mass377.00
IUPAC Name5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClFN3O3S/c17-9-1-4-11(5-2-9)25(23,24)21-14-6-3-10(18)7-12(14)15-13(16(21)22)8-19-20-15/h1-8H,(H,19,20)
InChIKeyBKTPOPGUJOLXIT-UHFFFAOYSA-N
XLogP2.91
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorophenyl)sulfonyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24864885
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
5-(4-Chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 23627219
5-(4-Chlorophenylsulfonyl)-8-fluoro-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864172
5-(4-Chlorophenyl)sulfonyl-7-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864173
5-(4-Chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864336
5-(4-Chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864523
5-(4-Chlorophenyl)sulfonyl-9-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864708
5-(4-Chlorophenyl)sulfonyl-7-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864709
3-(4-chlorophenyl)-N-[3-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 25995929
4-Chloro-N-{2-[((2E)-2-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}hydrazino)carbonyl]phenyl}benzenesulfonamide
CID 9659294
N-(4-chloro-2-fluorophenyl)sulfonyl-1H-indazole-7-carboxamide
CID 48488047

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one (CID 67505326) is 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one is O=c1c2cn[nH]c2c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is BKTPOPGUJOLXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O3S/c17-9-1-4-11(5-2-9)25(23,24)21-14-6-3-10(18)7-12(14)15-13(16(21)22)8-19-20-15/h1-8H,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one?
5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 377.78 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 67505326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).