5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline

C17H12ClF2N3O2S2 — CID 24865249

IUPAC5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)s1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C17H12ClF2N3O2S2/c18-14-3-4-15(26-14)27(24,25)23-13-6-12(20)11(19)5-9(13)16-10(7-21-22-16)17(23)8-1-2-8/h3-8,17H,1-2H2,(H,21,22)
InChIKeyZWYBSWYYUMKRPV-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.73
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline

5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865249) has the molecular formula C17H12ClF2N3O2S2 and a molecular weight of 427.89 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865249
Molecular FormulaC17H12ClF2N3O2S2
Molecular Weight427.89 g/mol
Exact Mass427.00
IUPAC Name5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)s1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C17H12ClF2N3O2S2/c18-14-3-4-15(26-14)27(24,25)23-13-6-12(20)11(19)5-9(13)16-10(7-21-22-16)17(23)8-1-2-8/h3-8,17H,1-2H2,(H,21,22)
InChIKeyZWYBSWYYUMKRPV-UHFFFAOYSA-N
XLogP4.73
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline with MolForge

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Related Compounds

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
5-Chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole
CID 24866173
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
7-Chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485496
(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746395
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865249) is 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(Cl)s1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is ZWYBSWYYUMKRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O2S2/c18-14-3-4-15(26-14)27(24,25)23-13-6-12(20)11(19)5-9(13)16-10(7-21-22-16)17(23)8-1-2-8/h3-8,17H,1-2H2,(H,21,22).
What are the key properties of 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 427.89 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).