5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline

C19H18ClN3O2S — CID 24864886

IUPAC5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC(C)C1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-12(2)19-16-11-21-22-18(16)15-5-3-4-6-17(15)23(19)26(24,25)14-9-7-13(20)8-10-14/h3-12,19H,1-2H3,(H,21,22)
InChIKeyPSLQVFULRNRPCN-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.64
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline

5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24864886) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24864886
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC(C)C1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-12(2)19-16-11-21-22-18(16)15-5-3-4-6-17(15)23(19)26(24,25)14-9-7-13(20)8-10-14/h3-12,19H,1-2H3,(H,21,22)
InChIKeyPSLQVFULRNRPCN-UHFFFAOYSA-N
XLogP4.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.64
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-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24864886) is 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline is CC(C)C1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is PSLQVFULRNRPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-12(2)19-16-11-21-22-18(16)15-5-3-4-6-17(15)23(19)26(24,25)14-9-7-13(20)8-10-14/h3-12,19H,1-2H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 387.89 g/mol, XLogP of 4.64, 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-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24864886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).