2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide

C20H17Cl2N3O5S — CID 167773219

IUPAC2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide
SMILESO=C1CCC(N2Cc3cc(CNS(=O)(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H17Cl2N3O5S/c21-13-2-4-15(22)17(8-13)31(29,30)23-9-11-1-3-14-12(7-11)10-25(20(14)28)16-5-6-18(26)24-19(16)27/h1-4,7-8,16,23H,5-6,9-10H2,(H,24,26,27)
InChIKeyFNMDPSODUMREOD-UHFFFAOYSA-N
MW482.35 g/mol
LogP2.23
Rot. Bonds5

About 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide

2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide (PubChem CID 167773219) has the molecular formula C20H17Cl2N3O5S and a molecular weight of 482.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide
PubChem CID167773219
Molecular FormulaC20H17Cl2N3O5S
Molecular Weight482.35 g/mol
Exact Mass481.03
IUPAC Name2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide
SMILESO=C1CCC(N2Cc3cc(CNS(=O)(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)C(=O)N1
InChIInChI=1S/C20H17Cl2N3O5S/c21-13-2-4-15(22)17(8-13)31(29,30)23-9-11-1-3-14-12(7-11)10-25(20(14)28)16-5-6-18(26)24-19(16)27/h1-4,7-8,16,23H,5-6,9-10H2,(H,24,26,27)
InChIKeyFNMDPSODUMREOD-UHFFFAOYSA-N
XLogP2.23
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.35
LogP ≤ 52.23
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

[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683
7-chloro-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4H-isoquinoline-1,3-dione
CID 147745475
3-[6-[[(5,6-dichloro-1H-benzimidazol-2-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 46199340
1-(5-chloro-2-ethylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 70944165
3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methanesulfonic acid
CID 86630765
3-[6-[[2-(ethylamino)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736726
3-[6-[[(3-amino-1-bicyclo[1.1.1]pentanyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724830
1-tert-butyl-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 44538828
3-[6-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716001
6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 168880037
3-[6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730252

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide (CID 167773219) is 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide is O=C1CCC(N2Cc3cc(CNS(=O)(=O)c4cc(Cl)ccc4Cl)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide?
The InChIKey is FNMDPSODUMREOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O5S/c21-13-2-4-15(22)17(8-13)31(29,30)23-9-11-1-3-14-12(7-11)10-25(20(14)28)16-5-6-18(26)24-19(16)27/h1-4,7-8,16,23H,5-6,9-10H2,(H,24,26,27).
What are the key properties of 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide has a molecular weight of 482.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 167773219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).