5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline

C18H16ClN3O2S — CID 24864705

IUPAC5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCCC1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-16-15-11-20-21-18(15)14-5-3-4-6-17(14)22(16)25(23,24)13-9-7-12(19)8-10-13/h3-11,16H,2H2,1H3,(H,20,21)
InChIKeyKJQPRNCOTYTPSD-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.39
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline

5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24864705) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24864705
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCCC1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-16-15-11-20-21-18(15)14-5-3-4-6-17(14)22(16)25(23,24)13-9-7-12(19)8-10-13/h3-11,16H,2H2,1H3,(H,20,21)
InChIKeyKJQPRNCOTYTPSD-UHFFFAOYSA-N
XLogP4.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.39
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-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24864705) is 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline is CCC1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is KJQPRNCOTYTPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-2-16-15-11-20-21-18(15)14-5-3-4-6-17(14)22(16)25(23,24)13-9-7-12(19)8-10-13/h3-11,16H,2H2,1H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 373.87 g/mol, XLogP of 4.39, 3 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-ethyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24864705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).