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

C23H19N3O3S — CID 54613635

IUPAC3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1Cc1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-23-21(30(28,29)18-9-5-2-6-10-18)13-17-11-12-20-19(22(17)25-23)14-24-26(20)15-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2,(H,25,27)
InChIKeyWETYBORVRMBUKJ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.22
Rot. Bonds4

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

3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (PubChem CID 54613635) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
PubChem CID54613635
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESO=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1Cc1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-23-21(30(28,29)18-9-5-2-6-10-18)13-17-11-12-20-19(22(17)25-23)14-24-26(20)15-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2,(H,25,27)
InChIKeyWETYBORVRMBUKJ-UHFFFAOYSA-N
XLogP3.22
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one (CID 54613635) is 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1Cc1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
The InChIKey is WETYBORVRMBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-23-21(30(28,29)18-9-5-2-6-10-18)13-17-11-12-20-19(22(17)25-23)14-24-26(20)15-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2,(H,25,27).
What are the key properties of 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one has a molecular weight of 417.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-benzyl-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 54613635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).