N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide

C19H18N4O6S — CID 166426706

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cn1
InChIInChI=1S/C19H18N4O6S/c1-29-17-7-3-13(9-20-17)30(27,28)22-12-2-4-14-11(8-12)10-23(19(14)26)15-5-6-16(24)21-18(15)25/h2-4,7-9,15,22H,5-6,10H2,1H3,(H,21,24,25)
InChIKeyZHNDLSAUIAEVIA-UHFFFAOYSA-N
MW430.44 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide (PubChem CID 166426706) has the molecular formula C19H18N4O6S and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide
PubChem CID166426706
Molecular FormulaC19H18N4O6S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cn1
InChIInChI=1S/C19H18N4O6S/c1-29-17-7-3-13(9-20-17)30(27,28)22-12-2-4-14-11(8-12)10-23(19(14)26)15-5-6-16(24)21-18(15)25/h2-4,7-9,15,22H,5-6,10H2,1H3,(H,21,24,25)
InChIKeyZHNDLSAUIAEVIA-UHFFFAOYSA-N
XLogP0.65
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 50.65
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-oxo-3H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938673
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
CID 164938612
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-propan-2-yloxybenzenesulfonamide
CID 166426721
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 167783597
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
CID 164938578
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938613
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 164938597
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methylpropane-1-sulfonamide
CID 167779417
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3-(methoxymethyl)benzenesulfonamide
CID 166426836
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzenesulfonamide
CID 166426668
N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-phenylbenzenesulfonamide
CID 167591123
5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide
CID 166426826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide (CID 166426706) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cn1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide?
The InChIKey is ZHNDLSAUIAEVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S/c1-29-17-7-3-13(9-20-17)30(27,28)22-12-2-4-14-11(8-12)10-23(19(14)26)15-5-6-16(24)21-18(15)25/h2-4,7-9,15,22H,5-6,10H2,1H3,(H,21,24,25).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide has a molecular weight of 430.44 g/mol, XLogP of 0.65, 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-oxo-3H-isoindol-5-yl]-6-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 166426706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).