5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide

C20H16ClN3O7S — CID 167175297

IUPAC5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H16ClN3O7S/c1-31-15-6-2-10(21)8-16(15)32(29,30)23-11-3-4-12-13(9-11)20(28)24(19(12)27)14-5-7-17(25)22-18(14)26/h2-4,6,8-9,14,23H,5,7H2,1H3,(H,22,25,26)
InChIKeyPUGVZGISZCTSSK-UHFFFAOYSA-N
MW477.88 g/mol
LogP1.55
Rot. Bonds5

About 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide (PubChem CID 167175297) has the molecular formula C20H16ClN3O7S and a molecular weight of 477.88 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
PubChem CID167175297
Molecular FormulaC20H16ClN3O7S
Molecular Weight477.88 g/mol
Exact Mass477.04
IUPAC Name5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H16ClN3O7S/c1-31-15-6-2-10(21)8-16(15)32(29,30)23-11-3-4-12-13(9-11)20(28)24(19(12)27)14-5-7-17(25)22-18(14)26/h2-4,6,8-9,14,23H,5,7H2,1H3,(H,22,25,26)
InChIKeyPUGVZGISZCTSSK-UHFFFAOYSA-N
XLogP1.55
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-methyl-2-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 166985426
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
CID 169222732
2-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222741
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione
CID 163267813
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(7-fluoro-4-methoxy-1,3-benzothiazol-2-yl)propan-2-yl]urea
CID 178048991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide (CID 167175297) is 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
The InChIKey is PUGVZGISZCTSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O7S/c1-31-15-6-2-10(21)8-16(15)32(29,30)23-11-3-4-12-13(9-11)20(28)24(19(12)27)14-5-7-17(25)22-18(14)26/h2-4,6,8-9,14,23H,5,7H2,1H3,(H,22,25,26).
What are the key properties of 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide has a molecular weight of 477.88 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 167175297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).