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

C22H16ClN3O3S — CID 122190664

IUPAC3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccccc1Cl
InChIInChI=1S/C22H16ClN3O3S/c23-17-8-4-5-9-19(17)26-18-11-10-14-12-20(22(27)25-21(14)16(18)13-24-26)30(28,29)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,25,27)
InChIKeyVITZOZPKUXHKHD-UHFFFAOYSA-N
MW437.91 g/mol
LogP3.81
Rot. Bonds3

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

3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190664) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
PubChem CID122190664
Molecular FormulaC22H16ClN3O3S
Molecular Weight437.91 g/mol
Exact Mass437.06
IUPAC Name3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccccc1Cl
InChIInChI=1S/C22H16ClN3O3S/c23-17-8-4-5-9-19(17)26-18-11-10-14-12-20(22(27)25-21(14)16(18)13-24-26)30(28,29)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,25,27)
InChIKeyVITZOZPKUXHKHD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (CID 122190664) is 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccccc1Cl.
What is the InChIKey of 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The InChIKey is VITZOZPKUXHKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c23-17-8-4-5-9-19(17)26-18-11-10-14-12-20(22(27)25-21(14)16(18)13-24-26)30(28,29)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,25,27).
What are the key properties of 3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-(2-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-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).