N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide

C24H24N2O6S — CID 166985237

IUPACN-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)CCCCC1=O)C2=O
InChIInChI=1S/C24H24N2O6S/c1-15-6-2-5-9-22(15)33(31,32)25-16-10-12-18-19(14-16)24(30)26(23(18)29)20-13-11-17(27)7-3-4-8-21(20)28/h2,5-6,9-10,12,14,20,25H,3-4,7-8,11,13H2,1H3
InChIKeyGWFPIQZDCNFMPE-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.25
Rot. Bonds4

About N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide

N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide (PubChem CID 166985237) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide
PubChem CID166985237
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)CCCCC1=O)C2=O
InChIInChI=1S/C24H24N2O6S/c1-15-6-2-5-9-22(15)33(31,32)25-16-10-12-18-19(14-16)24(30)26(23(18)29)20-13-11-17(27)7-3-4-8-21(20)28/h2,5-6,9-10,12,14,20,25H,3-4,7-8,11,13H2,1H3
InChIKeyGWFPIQZDCNFMPE-UHFFFAOYSA-N
XLogP3.25
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 166985434
2-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222741
2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 167615591
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222728
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 167175297
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
CID 169222732
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-methyl-2-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 166985426
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 164938543
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
2-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 177299347
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 110732709

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide (CID 166985237) is N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)CCCCC1=O)C2=O.
What is the InChIKey of N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide?
The InChIKey is GWFPIQZDCNFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-15-6-2-5-9-22(15)33(31,32)25-16-10-12-18-19(14-16)24(30)26(23(18)29)20-13-11-17(27)7-3-4-8-21(20)28/h2,5-6,9-10,12,14,20,25H,3-4,7-8,11,13H2,1H3.
What are the key properties of N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide?
N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide has a molecular weight of 468.53 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 166985237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).