N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide

C14H17N3O4S — CID 138039109

IUPACN-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide
SMILESO=C1CC(c2ccc(NS(=O)(=O)N3CCC3)cc2)CC(=O)N1
InChIInChI=1S/C14H17N3O4S/c18-13-8-11(9-14(19)15-13)10-2-4-12(5-3-10)16-22(20,21)17-6-1-7-17/h2-5,11,16H,1,6-9H2,(H,15,18,19)
InChIKeyATDKSRRCEZVVOZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.57
Rot. Bonds4

About N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide

N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide (PubChem CID 138039109) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide
PubChem CID138039109
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide
SMILESO=C1CC(c2ccc(NS(=O)(=O)N3CCC3)cc2)CC(=O)N1
InChIInChI=1S/C14H17N3O4S/c18-13-8-11(9-14(19)15-13)10-2-4-12(5-3-10)16-22(20,21)17-6-1-7-17/h2-5,11,16H,1,6-9H2,(H,15,18,19)
InChIKeyATDKSRRCEZVVOZ-UHFFFAOYSA-N
XLogP0.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide
CID 154736424
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione
CID 115525417
N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide
CID 61223235
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
CID 62303926
N-(4-ethoxyphenyl)azepane-1-sulfonamide
CID 2988232
N-(4-propan-2-yloxyphenyl)piperidine-1-sulfonamide
CID 110705941
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
4-(4-nitrophenyl)piperidine-2,6-dione
CID 53426303

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide?
The IUPAC name of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide (CID 138039109) is N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide.
What is the SMILES notation for N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide?
The canonical SMILES for N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide is O=C1CC(c2ccc(NS(=O)(=O)N3CCC3)cc2)CC(=O)N1.
What is the InChIKey of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide?
The InChIKey is ATDKSRRCEZVVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-13-8-11(9-14(19)15-13)10-2-4-12(5-3-10)16-22(20,21)17-6-1-7-17/h2-5,11,16H,1,6-9H2,(H,15,18,19).
What are the key properties of N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide?
N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide is sourced from PubChem (CID 138039109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).