5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole

C16H11ClF2N4O2S2 — CID 24866173

IUPAC5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole
SMILESO=S(=O)(c1ncc(Cl)s1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C16H11ClF2N4O2S2/c17-13-6-20-16(26-13)27(24,25)23-12-4-11(19)10(18)3-8(12)14-9(5-21-22-14)15(23)7-1-2-7/h3-7,15H,1-2H2,(H,21,22)
InChIKeyVONONKABRHIFEM-UHFFFAOYSA-N
MW428.87 g/mol
LogP4.12
Rot. Bonds3

About 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole

5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole (PubChem CID 24866173) has the molecular formula C16H11ClF2N4O2S2 and a molecular weight of 428.87 g/mol. Its IUPAC name is 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole
PubChem CID24866173
Molecular FormulaC16H11ClF2N4O2S2
Molecular Weight428.87 g/mol
Exact Mass428.00
IUPAC Name5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole
SMILESO=S(=O)(c1ncc(Cl)s1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C16H11ClF2N4O2S2/c17-13-6-20-16(26-13)27(24,25)23-12-4-11(19)10(18)3-8(12)14-9(5-21-22-14)15(23)7-1-2-7/h3-7,15H,1-2H2,(H,21,22)
InChIKeyVONONKABRHIFEM-UHFFFAOYSA-N
XLogP4.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-Chlorothiophen-2-yl)sulfonyl-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865249
4-[4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole
CID 45485464
5-[(5-Chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-8-fluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865786
5-[(5-Chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865609

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole (CID 24866173) is 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole is O=S(=O)(c1ncc(Cl)s1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole?
The InChIKey is VONONKABRHIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2S2/c17-13-6-20-16(26-13)27(24,25)23-12-4-11(19)10(18)3-8(12)14-9(5-21-22-14)15(23)7-1-2-7/h3-7,15H,1-2H2,(H,21,22).
What are the key properties of 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole?
5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole has a molecular weight of 428.87 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-1,3-thiazole is sourced from PubChem (CID 24866173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).