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

C17H13F2N3O2S — CID 71746393

IUPAC(4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESC[C@@H]1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O2S/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)/t10-/m1/s1
InChIKeyKJJTYBGVOOHTTI-SNVBAGLBSA-N
MW361.37 g/mol
LogP3.62
Rot. Bonds2

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

(4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 71746393) has the molecular formula C17H13F2N3O2S and a molecular weight of 361.37 g/mol. Its IUPAC name is (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name(4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID71746393
Molecular FormulaC17H13F2N3O2S
Molecular Weight361.37 g/mol
Exact Mass361.07
IUPAC Name(4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESC[C@@H]1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O2S/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)/t10-/m1/s1
InChIKeyKJJTYBGVOOHTTI-SNVBAGLBSA-N
XLogP3.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline with MolForge

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Related Compounds

Elnd-007
CID 46912223
Elnd-006
CID 53308121
1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
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
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
(4R)-4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746584

Frequently Asked Questions

What is the IUPAC name of (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 71746393) is (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline is C[C@@H]1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is KJJTYBGVOOHTTI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13F2N3O2S/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)/t10-/m1/s1.
What are the key properties of (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline?
(4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 361.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-fluoro-5-(4-fluorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 71746393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).