N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide

C19H13Cl2N3O6S — CID 164938604

IUPACN-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3cc(Cl)c(NS(=O)(=O)c4ccccc4)c(Cl)c3C2=O)C(=O)N1
InChIInChI=1S/C19H13Cl2N3O6S/c20-11-8-10-14(15(21)16(11)23-31(29,30)9-4-2-1-3-5-9)19(28)24(18(10)27)12-6-7-13(25)22-17(12)26/h1-5,8,12,23H,6-7H2,(H,22,25,26)
InChIKeyCJYZFTCHNZAPQP-UHFFFAOYSA-N
MW482.30 g/mol
LogP2.20
Rot. Bonds4

About N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide

N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide (PubChem CID 164938604) has the molecular formula C19H13Cl2N3O6S and a molecular weight of 482.30 g/mol. Its IUPAC name is N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
PubChem CID164938604
Molecular FormulaC19H13Cl2N3O6S
Molecular Weight482.30 g/mol
Exact Mass480.99
IUPAC NameN-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3cc(Cl)c(NS(=O)(=O)c4ccccc4)c(Cl)c3C2=O)C(=O)N1
InChIInChI=1S/C19H13Cl2N3O6S/c20-11-8-10-14(15(21)16(11)23-31(29,30)9-4-2-1-3-5-9)19(28)24(18(10)27)12-6-7-13(25)22-17(12)26/h1-5,8,12,23H,6-7H2,(H,22,25,26)
InChIKeyCJYZFTCHNZAPQP-UHFFFAOYSA-N
XLogP2.20
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739
4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 139184599
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
CID 166155279
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The IUPAC name of N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide (CID 164938604) is N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide is O=C1CCC(N2C(=O)c3cc(Cl)c(NS(=O)(=O)c4ccccc4)c(Cl)c3C2=O)C(=O)N1.
What is the InChIKey of N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The InChIKey is CJYZFTCHNZAPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O6S/c20-11-8-10-14(15(21)16(11)23-31(29,30)9-4-2-1-3-5-9)19(28)24(18(10)27)12-6-7-13(25)22-17(12)26/h1-5,8,12,23H,6-7H2,(H,22,25,26).
What are the key properties of N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide has a molecular weight of 482.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 164938604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).