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

C16H12ClN3O2S — CID 23627219

IUPAC5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2-c2ccccc21
InChIInChI=1S/C16H12ClN3O2S/c17-12-5-7-13(8-6-12)23(21,22)20-10-11-9-18-19-16(11)14-3-1-2-4-15(14)20/h1-9H,10H2,(H,18,19)
InChIKeyRHGDNTJXQKAOST-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.44
Rot. Bonds2

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

5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 23627219) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID23627219
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2-c2ccccc21
InChIInChI=1S/C16H12ClN3O2S/c17-12-5-7-13(8-6-12)23(21,22)20-10-11-9-18-19-16(11)14-3-1-2-4-15(14)20/h1-9H,10H2,(H,18,19)
InChIKeyRHGDNTJXQKAOST-UHFFFAOYSA-N
XLogP3.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.44
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-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 23627219) is 5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2-c2ccccc21.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is RHGDNTJXQKAOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-12-5-7-13(8-6-12)23(21,22)20-10-11-9-18-19-16(11)14-3-1-2-4-15(14)20/h1-9H,10H2,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(4-chlorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 345.81 g/mol, XLogP of 3.44, 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-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 23627219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).