N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide

C24H24N2O6S — CID 166985434

IUPACN-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)CCCC2=O)C3=O)cc1C
InChIInChI=1S/C24H24N2O6S/c1-14-6-9-18(12-15(14)2)33(31,32)25-16-7-10-19-20(13-16)24(30)26(23(19)29)21-11-8-17(27)4-3-5-22(21)28/h6-7,9-10,12-13,21,25H,3-5,8,11H2,1-2H3
InChIKeyUCOSVDDNTNRICW-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide

N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 166985434) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID166985434
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)CCCC2=O)C3=O)cc1C
InChIInChI=1S/C24H24N2O6S/c1-14-6-9-18(12-15(14)2)33(31,32)25-16-7-10-19-20(13-16)24(30)26(23(19)29)21-11-8-17(27)4-3-5-22(21)28/h6-7,9-10,12-13,21,25H,3-5,8,11H2,1-2H3
InChIKeyUCOSVDDNTNRICW-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,7-dioxocyclononyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzenesulfonamide
CID 166985237
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 110732709
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 164938543
2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 167615591
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-methyl-2-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 166985426
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 167175297
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
CID 169222732
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide (CID 166985434) is N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)CCCC2=O)C3=O)cc1C.
What is the InChIKey of N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is UCOSVDDNTNRICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-14-6-9-18(12-15(14)2)33(31,32)25-16-7-10-19-20(13-16)24(30)26(23(19)29)21-11-8-17(27)4-3-5-22(21)28/h6-7,9-10,12-13,21,25H,3-5,8,11H2,1-2H3.
What are the key properties of N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide?
N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 468.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 166985434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).