N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide

C17H16N2O4S — CID 1253624

IUPACN-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C17H16N2O4S/c1-18(24(2,22)23)13-9-7-12(8-10-13)11-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10H,11H2,1-2H3
InChIKeyJEHVAPASAHBZLY-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.88
Rot. Bonds4

About N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide

N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 1253624) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide
PubChem CID1253624
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C17H16N2O4S/c1-18(24(2,22)23)13-9-7-12(8-10-13)11-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10H,11H2,1-2H3
InChIKeyJEHVAPASAHBZLY-UHFFFAOYSA-N
XLogP1.88
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide (CID 1253624) is N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide is CN(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is JEHVAPASAHBZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-18(24(2,22)23)13-9-7-12(8-10-13)11-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10H,11H2,1-2H3.
What are the key properties of N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide?
N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 1253624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).