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

C20H17N3O7S — CID 166632365

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H17N3O7S/c1-30-15-4-2-3-5-16(15)31(28,29)22-11-6-7-12-13(10-11)20(27)23(19(12)26)14-8-9-17(24)21-18(14)25/h2-7,10,14,22H,8-9H2,1H3,(H,21,24,25)
InChIKeyCBGRGVYIMBGCPT-UHFFFAOYSA-N
MW443.44 g/mol
LogP0.90
Rot. Bonds5

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

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide (PubChem CID 166632365) has the molecular formula C20H17N3O7S and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
PubChem CID166632365
Molecular FormulaC20H17N3O7S
Molecular Weight443.44 g/mol
Exact Mass443.08
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H17N3O7S/c1-30-15-4-2-3-5-16(15)31(28,29)22-11-6-7-12-13(10-11)20(27)23(19(12)26)14-8-9-17(24)21-18(14)25/h2-7,10,14,22H,8-9H2,1H3,(H,21,24,25)
InChIKeyCBGRGVYIMBGCPT-UHFFFAOYSA-N
XLogP0.90
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 50.90
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

N-(2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 155925914
N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 164938650
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 166630141
N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 5195263
(2S)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 15945143
N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide
CID 2542429
N-[4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 2494638
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4464519
2-(1,3-dioxoisoindol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4855182
N-(4-Acetylphenyl)-2-(2,5-dimethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 16012881
3-(benzenesulfonamido)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16327819
3-[6-[(4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 163524425

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide (CID 166632365) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
The InChIKey is CBGRGVYIMBGCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O7S/c1-30-15-4-2-3-5-16(15)31(28,29)22-11-6-7-12-13(10-11)20(27)23(19(12)26)14-8-9-17(24)21-18(14)25/h2-7,10,14,22H,8-9H2,1H3,(H,21,24,25).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide has a molecular weight of 443.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 166632365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).