4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide

C26H25N3O4S — CID 118197471

IUPAC4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3CC3)c3c2C(=O)N(c2cccnc2)C3=O)cc1
InChIInChI=1S/C26H25N3O4S/c1-26(2,3)17-8-10-19(11-9-17)34(32,33)28-21-13-12-20(16-6-7-16)22-23(21)25(31)29(24(22)30)18-5-4-14-27-15-18/h4-5,8-16,28H,6-7H2,1-3H3
InChIKeyDLUSNEPJGLJSNU-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.86
Rot. Bonds5

About 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide

4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide (PubChem CID 118197471) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
PubChem CID118197471
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3CC3)c3c2C(=O)N(c2cccnc2)C3=O)cc1
InChIInChI=1S/C26H25N3O4S/c1-26(2,3)17-8-10-19(11-9-17)34(32,33)28-21-13-12-20(16-6-7-16)22-23(21)25(31)29(24(22)30)18-5-4-14-27-15-18/h4-5,8-16,28H,6-7H2,1-3H3
InChIKeyDLUSNEPJGLJSNU-UHFFFAOYSA-N
XLogP4.86
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide (CID 118197471) is 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3CC3)c3c2C(=O)N(c2cccnc2)C3=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
The InChIKey is DLUSNEPJGLJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-26(2,3)17-8-10-19(11-9-17)34(32,33)28-21-13-12-20(16-6-7-16)22-23(21)25(31)29(24(22)30)18-5-4-14-27-15-18/h4-5,8-16,28H,6-7H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide has a molecular weight of 475.57 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118197471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).