N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide

C17H19N3O3S — CID 25101130

IUPACN-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide
SMILESCNN1Cc2cc(-c3cccc(NS(C)(=O)=O)c3)cc(C)c2C1=O
InChIInChI=1S/C17H19N3O3S/c1-11-7-13(8-14-10-20(18-2)17(21)16(11)14)12-5-4-6-15(9-12)19-24(3,22)23/h4-9,18-19H,10H2,1-3H3
InChIKeyOGWKGXQVMYXVEC-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.12
Rot. Bonds4

About N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide

N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide (PubChem CID 25101130) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide
PubChem CID25101130
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide
SMILESCNN1Cc2cc(-c3cccc(NS(C)(=O)=O)c3)cc(C)c2C1=O
InChIInChI=1S/C17H19N3O3S/c1-11-7-13(8-14-10-20(18-2)17(21)16(11)14)12-5-4-6-15(9-12)19-24(3,22)23/h4-9,18-19H,10H2,1-3H3
InChIKeyOGWKGXQVMYXVEC-UHFFFAOYSA-N
XLogP2.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide (CID 25101130) is N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide is CNN1Cc2cc(-c3cccc(NS(C)(=O)=O)c3)cc(C)c2C1=O.
What is the InChIKey of N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide?
The InChIKey is OGWKGXQVMYXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-7-13(8-14-10-20(18-2)17(21)16(11)14)12-5-4-6-15(9-12)19-24(3,22)23/h4-9,18-19H,10H2,1-3H3.
What are the key properties of N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide?
N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-methyl-2-(methylamino)-1-oxo-3H-isoindol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 25101130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).