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

C19H14ClN3O6S — CID 164938543

IUPAC3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H14ClN3O6S/c20-10-2-1-3-12(8-10)30(28,29)22-11-4-5-13-14(9-11)19(27)23(18(13)26)15-6-7-16(24)21-17(15)25/h1-5,8-9,15,22H,6-7H2,(H,21,24,25)
InChIKeyHLDGYGDHHNONSV-UHFFFAOYSA-N
MW447.86 g/mol
LogP1.54
Rot. Bonds4

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

3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide (PubChem CID 164938543) has the molecular formula C19H14ClN3O6S and a molecular weight of 447.86 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
PubChem CID164938543
Molecular FormulaC19H14ClN3O6S
Molecular Weight447.86 g/mol
Exact Mass447.03
IUPAC Name3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
SMILESO=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H14ClN3O6S/c20-10-2-1-3-12(8-10)30(28,29)22-11-4-5-13-14(9-11)19(27)23(18(13)26)15-6-7-16(24)21-17(15)25/h1-5,8-9,15,22H,6-7H2,(H,21,24,25)
InChIKeyHLDGYGDHHNONSV-UHFFFAOYSA-N
XLogP1.54
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.86
LogP ≤ 51.54
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

5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 167175297
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
2-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222741
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-methyl-2-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 166985426
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222728
N-[4,6-dichloro-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 164938604
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
CID 169222732
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
CID 164938578

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide (CID 164938543) is 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide is O=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The InChIKey is HLDGYGDHHNONSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O6S/c20-10-2-1-3-12(8-10)30(28,29)22-11-4-5-13-14(9-11)19(27)23(18(13)26)15-6-7-16(24)21-17(15)25/h1-5,8-9,15,22H,6-7H2,(H,21,24,25).
What are the key properties of 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide has a molecular weight of 447.86 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 164938543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).