4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide

C13H13N3O4S2 — CID 121191276

IUPAC4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1
InChIInChI=1S/C13H13N3O4S2/c14-21(17,18)11-3-5-12(6-4-11)22(19,20)16-8-10-2-1-7-15-13(10)9-16/h1-7H,8-9H2,(H2,14,17,18)
InChIKeyVFSZJGXOGSISBD-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.43
Rot. Bonds3

About 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide

4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide (PubChem CID 121191276) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
PubChem CID121191276
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC Name4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1
InChIInChI=1S/C13H13N3O4S2/c14-21(17,18)11-3-5-12(6-4-11)22(19,20)16-8-10-2-1-7-15-13(10)9-16/h1-7H,8-9H2,(H2,14,17,18)
InChIKeyVFSZJGXOGSISBD-UHFFFAOYSA-N
XLogP0.43
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191252
6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191240
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 167855801
6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191232
1-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]ethanone
CID 121191228
N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide
CID 121184546
4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)-2,1,3-benzothiadiazole
CID 121191286
6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121184552
6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191202
7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59826295
4-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55625793

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide (CID 121191276) is 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1.
What is the InChIKey of 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide?
The InChIKey is VFSZJGXOGSISBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c14-21(17,18)11-3-5-12(6-4-11)22(19,20)16-8-10-2-1-7-15-13(10)9-16/h1-7H,8-9H2,(H2,14,17,18).
What are the key properties of 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide?
4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide has a molecular weight of 339.40 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 121191276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).