N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide

C15H12N2O4S — CID 95234534

IUPACN-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H12N2O4S/c1-9-4-2-3-5-13(9)17-22(20,21)10-6-7-11-12(8-10)15(19)16-14(11)18/h2-8,17H,1H3,(H,16,18,19)
InChIKeyBPRNGRQPKAUIMM-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.68
Rot. Bonds3

About N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide

N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 95234534) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
PubChem CID95234534
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC NameN-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H12N2O4S/c1-9-4-2-3-5-13(9)17-22(20,21)10-6-7-11-12(8-10)15(19)16-14(11)18/h2-8,17H,1H3,(H,16,18,19)
InChIKeyBPRNGRQPKAUIMM-UHFFFAOYSA-N
XLogP1.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820383
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
CID 98986189
9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
CID 1159157
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582379
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
CID 988110
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
CID 70985171
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 120862484
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56560913

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide (CID 95234534) is N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is BPRNGRQPKAUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-9-4-2-3-5-13(9)17-22(20,21)10-6-7-11-12(8-10)15(19)16-14(11)18/h2-8,17H,1H3,(H,16,18,19).
What are the key properties of N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 316.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 95234534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).