N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide

C23H24N2O4S — CID 166985416

IUPACN-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide
SMILESCc1ccccc1S(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)CCCC1=O)C2
InChIInChI=1S/C23H24N2O4S/c1-15-5-2-3-8-22(15)30(29)24-17-10-9-16-14-25(23(28)19(16)13-17)20-12-11-18(26)6-4-7-21(20)27/h2-3,5,8-10,13,20,24H,4,6-7,11-12,14H2,1H3
InChIKeyYXOSPIZNASGKRU-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.56
Rot. Bonds4

About N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide

N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide (PubChem CID 166985416) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide
PubChem CID166985416
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide
SMILESCc1ccccc1S(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)CCCC1=O)C2
InChIInChI=1S/C23H24N2O4S/c1-15-5-2-3-8-22(15)30(29)24-17-10-9-16-14-25(23(28)19(16)13-17)20-12-11-18(26)6-4-7-21(20)27/h2-3,5,8-10,13,20,24H,4,6-7,11-12,14H2,1H3
InChIKeyYXOSPIZNASGKRU-UHFFFAOYSA-N
XLogP3.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,7-dioxocyclononyl)-1-oxo-3H-isoindol-5-yl]-2-methylbenzamide
CID 170731830
2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]cyclononane-1,5-dione
CID 170731558
N-[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-5-yl]-3-(methanesulfonamido)benzamide
CID 170731879
N-[1-oxo-2-(7-oxo-2-sulfanylidenecyclononyl)-3H-isoindol-5-yl]acetamide
CID 170731888
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938613
2-(6-oxocyclohex-3-en-1-yl)-6-(propan-2-ylamino)-3H-isoindol-1-one
CID 167532347
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
3-(3,4-dichlorophenyl)-1-[[2-(2,6-dioxocyclooctyl)-1-oxo-3H-isoindol-4-yl]methyl]-1-methylurea
CID 123224931
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
CID 156528080
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide?
The IUPAC name of N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide (CID 166985416) is N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide.
What is the SMILES notation for N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide?
The canonical SMILES for N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide is Cc1ccccc1S(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)CCCC1=O)C2.
What is the InChIKey of N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide?
The InChIKey is YXOSPIZNASGKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-5-2-3-8-22(15)30(29)24-17-10-9-16-14-25(23(28)19(16)13-17)20-12-11-18(26)6-4-7-21(20)27/h2-3,5,8-10,13,20,24H,4,6-7,11-12,14H2,1H3.
What are the key properties of N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide?
N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide has a molecular weight of 424.52 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxocyclooctyl)-3-oxo-1H-isoindol-5-yl]-2-methylbenzenesulfinamide is sourced from PubChem (CID 166985416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).