3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide

C19H15ClFN3O5S — CID 164938578

IUPAC3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
SMILESO=C1CCC(N2Cc3cc(NS(=O)(=O)c4ccc(F)c(Cl)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H15ClFN3O5S/c20-14-8-12(2-4-15(14)21)30(28,29)23-11-1-3-13-10(7-11)9-24(19(13)27)16-5-6-17(25)22-18(16)26/h1-4,7-8,16,23H,5-6,9H2,(H,22,25,26)
InChIKeyZDZNQRHSDRUVIF-UHFFFAOYSA-N
MW451.86 g/mol
LogP2.04
Rot. Bonds4

About 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide

3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 164938578) has the molecular formula C19H15ClFN3O5S and a molecular weight of 451.86 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID164938578
Molecular FormulaC19H15ClFN3O5S
Molecular Weight451.86 g/mol
Exact Mass451.04
IUPAC Name3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
SMILESO=C1CCC(N2Cc3cc(NS(=O)(=O)c4ccc(F)c(Cl)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H15ClFN3O5S/c20-14-8-12(2-4-15(14)21)30(28,29)23-11-1-3-13-10(7-11)9-24(19(13)27)16-5-6-17(25)22-18(16)26/h1-4,7-8,16,23H,5-6,9H2,(H,22,25,26)
InChIKeyZDZNQRHSDRUVIF-UHFFFAOYSA-N
XLogP2.04
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.86
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluorobenzenesulfonamide
CID 164938612
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]-3-(trifluoromethyl)benzenesulfonamide
CID 164938597
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]-6-methoxypyridine-3-sulfonamide
CID 166426706
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]-2-methyl-1,3-thiazole-5-sulfonamide
CID 167783597
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methylpropane-1-sulfonamide
CID 167779417
N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-phenylbenzenesulfonamide
CID 167591123
3-[6-(2-bromoethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167274132
2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide
CID 167773219
1-(3-chloro-4-fluorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea;1-(3,4-dimethylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 134204631

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide (CID 164938578) is 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide is O=C1CCC(N2Cc3cc(NS(=O)(=O)c4ccc(F)c(Cl)c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is ZDZNQRHSDRUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O5S/c20-14-8-12(2-4-15(14)21)30(28,29)23-11-1-3-13-10(7-11)9-24(19(13)27)16-5-6-17(25)22-18(16)26/h1-4,7-8,16,23H,5-6,9H2,(H,22,25,26).
What are the key properties of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide?
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 451.86 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 164938578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).