3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one

C22H16ClN3O3S — CID 122190685

IUPAC3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O3S/c23-15-7-9-16(10-8-15)26-19-11-6-14-12-20(22(27)25-21(14)18(19)13-24-26)30(28,29)17-4-2-1-3-5-17/h1-5,7-10,12-13H,6,11H2,(H,25,27)
InChIKeyKCOGCHZIIVHYKG-UHFFFAOYSA-N
MW437.91 g/mol
LogP3.81
Rot. Bonds3

About 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one

3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190685) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
PubChem CID122190685
Molecular FormulaC22H16ClN3O3S
Molecular Weight437.91 g/mol
Exact Mass437.06
IUPAC Name3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O3S/c23-15-7-9-16(10-8-15)26-19-11-6-14-12-20(22(27)25-21(14)18(19)13-24-26)30(28,29)17-4-2-1-3-5-17/h1-5,7-10,12-13H,6,11H2,(H,25,27)
InChIKeyKCOGCHZIIVHYKG-UHFFFAOYSA-N
XLogP3.81
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (CID 122190685) is 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The InChIKey is KCOGCHZIIVHYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c23-15-7-9-16(10-8-15)26-19-11-6-14-12-20(22(27)25-21(14)18(19)13-24-26)30(28,29)17-4-2-1-3-5-17/h1-5,7-10,12-13H,6,11H2,(H,25,27).
What are the key properties of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one has a molecular weight of 437.91 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).