5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline

C17H13ClFN3O2S — CID 24864523

IUPAC5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClFN3O2S/c1-10-15-9-20-21-17(15)14-8-12(19)4-7-16(14)22(10)25(23,24)13-5-2-11(18)3-6-13/h2-10H,1H3,(H,20,21)
InChIKeyOTXHDBQTORDBPA-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.14
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline

5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24864523) has the molecular formula C17H13ClFN3O2S and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24864523
Molecular FormulaC17H13ClFN3O2S
Molecular Weight377.83 g/mol
Exact Mass377.04
IUPAC Name5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClFN3O2S/c1-10-15-9-20-21-17(15)14-8-12(19)4-7-16(14)22(10)25(23,24)13-5-2-11(18)3-6-13/h2-10H,1H3,(H,20,21)
InChIKeyOTXHDBQTORDBPA-UHFFFAOYSA-N
XLogP4.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Elnd-006
CID 53308121
4-[(4-Cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]benzonitrile
CID 24864526
5-(4-Chlorophenylsulfonyl)-4-ethyl-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864705
5-(4-Chlorophenyl)sulfonyl-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864711
5-(4-Chlorophenyl)sulfonyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24864885
5-(4-Chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864886
5-(5-Chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865249
4-Cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 45485450
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
12-(4-Chlorophenyl)sulfonyl-10-prop-1-ynyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45487093
CID 45487146
CID 45487146

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24864523) is 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline is CC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is OTXHDBQTORDBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S/c1-10-15-9-20-21-17(15)14-8-12(19)4-7-16(14)22(10)25(23,24)13-5-2-11(18)3-6-13/h2-10H,1H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 377.83 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24864523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).