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

C22H16ClN3O3S — CID 122190665

IUPAC3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O3S/c23-15-5-4-6-16(12-15)26-19-10-9-14-11-20(22(27)25-21(14)18(19)13-24-26)30(28,29)17-7-2-1-3-8-17/h1-8,11-13H,9-10H2,(H,25,27)
InChIKeyCCLGPUYFCKNHDX-UHFFFAOYSA-N
MW437.91 g/mol
LogP3.81
Rot. Bonds3

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

3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190665) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
PubChem CID122190665
Molecular FormulaC22H16ClN3O3S
Molecular Weight437.91 g/mol
Exact Mass437.06
IUPAC Name3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H16ClN3O3S/c23-15-5-4-6-16(12-15)26-19-10-9-14-11-20(22(27)25-21(14)18(19)13-24-26)30(28,29)17-7-2-1-3-8-17/h1-8,11-13H,9-10H2,(H,25,27)
InChIKeyCCLGPUYFCKNHDX-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-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (CID 122190665) is 3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1cccc(Cl)c1.
What is the InChIKey of 3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The InChIKey is CCLGPUYFCKNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c23-15-5-4-6-16(12-15)26-19-10-9-14-11-20(22(27)25-21(14)18(19)13-24-26)30(28,29)17-7-2-1-3-8-17/h1-8,11-13H,9-10H2,(H,25,27).
What are the key properties of 3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-(3-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-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).