N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide

C15H15N3O4S — CID 164627791

IUPACN-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cccc3c2CNC3=O)cc1NS(C)(=O)=O
InChIInChI=1S/C15H15N3O4S/c1-22-15-13(18-23(2,20)21)6-9(7-17-15)10-4-3-5-11-12(10)8-16-14(11)19/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyFOCQLYDPBHECTQ-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.37
Rot. Bonds4

About N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 164627791) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide
PubChem CID164627791
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cccc3c2CNC3=O)cc1NS(C)(=O)=O
InChIInChI=1S/C15H15N3O4S/c1-22-15-13(18-23(2,20)21)6-9(7-17-15)10-4-3-5-11-12(10)8-16-14(11)19/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyFOCQLYDPBHECTQ-UHFFFAOYSA-N
XLogP1.37
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide 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-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide (CID 164627791) is N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cccc3c2CNC3=O)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is FOCQLYDPBHECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-22-15-13(18-23(2,20)21)6-9(7-17-15)10-4-3-5-11-12(10)8-16-14(11)19/h3-7,18H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1-oxo-2,3-dihydroisoindol-4-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 164627791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).