2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole

C18H16FN3O2S — CID 139400904

IUPAC2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(S(=O)(=O)c3ccccc3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C18H16FN3O2S/c1-21-11-15-17(12-21)20-22(18(15)14-9-5-6-10-16(14)19)25(23,24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyFZHWJNSXGXBCCY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.87
Rot. Bonds3

About 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole

2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 139400904) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID139400904
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(S(=O)(=O)c3ccccc3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C18H16FN3O2S/c1-21-11-15-17(12-21)20-22(18(15)14-9-5-6-10-16(14)19)25(23,24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyFZHWJNSXGXBCCY-UHFFFAOYSA-N
XLogP2.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole 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 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 139400904) is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole is CN1Cc2nn(S(=O)(=O)c3ccccc3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is FZHWJNSXGXBCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-21-11-15-17(12-21)20-22(18(15)14-9-5-6-10-16(14)19)25(23,24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 357.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 139400904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).