N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide

C15H18N4O3S — CID 56882376

IUPACN-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
SMILESCc1nc2c(c(=O)n1C)CN(S(=O)(=O)NCc1ccccc1)C2
InChIInChI=1S/C15H18N4O3S/c1-11-17-14-10-19(9-13(14)15(20)18(11)2)23(21,22)16-8-12-6-4-3-5-7-12/h3-7,16H,8-10H2,1-2H3
InChIKeyQVMBFRYXLKCXFW-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.44
Rot. Bonds4

About N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide

N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide (PubChem CID 56882376) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
PubChem CID56882376
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
SMILESCc1nc2c(c(=O)n1C)CN(S(=O)(=O)NCc1ccccc1)C2
InChIInChI=1S/C15H18N4O3S/c1-11-17-14-10-19(9-13(14)15(20)18(11)2)23(21,22)16-8-12-6-4-3-5-7-12/h3-7,16H,8-10H2,1-2H3
InChIKeyQVMBFRYXLKCXFW-UHFFFAOYSA-N
XLogP0.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide 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 N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide (CID 56882376) is N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide is Cc1nc2c(c(=O)n1C)CN(S(=O)(=O)NCc1ccccc1)C2.
What is the InChIKey of N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
The InChIKey is QVMBFRYXLKCXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11-17-14-10-19(9-13(14)15(20)18(11)2)23(21,22)16-8-12-6-4-3-5-7-12/h3-7,16H,8-10H2,1-2H3.
What are the key properties of N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide?
N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 56882376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).