N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide

C16H14N2O4S — CID 110352312

IUPACN-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1NS(C)(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-10-7-8-11(9-14(10)17-23(2,21)22)18-15(19)12-5-3-4-6-13(12)16(18)20/h3-9,17H,1-2H3
InChIKeyCFEDFKLWAOWGCX-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.17
Rot. Bonds3

About N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide

N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide (PubChem CID 110352312) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
PubChem CID110352312
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(N2C(=O)c3ccccc3C2=O)cc1NS(C)(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-10-7-8-11(9-14(10)17-23(2,21)22)18-15(19)12-5-3-4-6-13(12)16(18)20/h3-9,17H,1-2H3
InChIKeyCFEDFKLWAOWGCX-UHFFFAOYSA-N
XLogP2.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 56509582
4-(1,3-dioxoisoindol-2-yl)-2-methylbenzenesulfonic acid
CID 168511809
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 110352302
phenyl 5-(1,3-dioxoisoindol-2-yl)-2-methylbenzenesulfonate
CID 168518780
1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea
CID 110352303
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
(2R)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 52534515
2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
CID 110352273
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide (CID 110352312) is N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide is Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide?
The InChIKey is CFEDFKLWAOWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-7-8-11(9-14(10)17-23(2,21)22)18-15(19)12-5-3-4-6-13(12)16(18)20/h3-9,17H,1-2H3.
What are the key properties of N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide?
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 110352312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).