5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline

C17H20ClN3O2S — CID 24864707

IUPAC5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2C2CCCCC2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2S/c1-11-15-10-19-20-17(15)14-4-2-3-5-16(14)21(11)24(22,23)13-8-6-12(18)7-9-13/h6-11,14,16H,2-5H2,1H3,(H,19,20)
InChIKeyYQSXMXLEXPPWOU-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.85
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline

5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline (PubChem CID 24864707) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline
PubChem CID24864707
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2C2CCCCC2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2S/c1-11-15-10-19-20-17(15)14-4-2-3-5-16(14)21(11)24(22,23)13-8-6-12(18)7-9-13/h6-11,14,16H,2-5H2,1H3,(H,19,20)
InChIKeyYQSXMXLEXPPWOU-UHFFFAOYSA-N
XLogP3.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline (CID 24864707) is 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline is CC1c2cn[nH]c2C2CCCCC2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline?
The InChIKey is YQSXMXLEXPPWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11-15-10-19-20-17(15)14-4-2-3-5-16(14)21(11)24(22,23)13-8-6-12(18)7-9-13/h6-11,14,16H,2-5H2,1H3,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline?
5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline has a molecular weight of 365.89 g/mol, XLogP of 3.85, 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-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24864707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).