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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 118205023
4-tert-butyl-N-(1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197598
4-tert-butyl-N-[7-cyclopropyl-2-(1-hydroxypyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)-4-(trifluoromethoxy)benzenesulfonamide;N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-3-methoxybenzenesulfonamide;N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-4-methylbenzenesulfonamide;N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 161026853
4-cyclopropyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione
CID 118197463
4-tert-butyl-N-[7-chloro-2-(5-ethyl-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 137447672
4-tert-butyl-N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxypyridin-1-ium-3-yl)-7-methyl-1,3-dioxoisoindol-4-yl]benzenesulfonamide;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-chloro-N-(1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;N-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-4-(1,3-oxazol-5-yl)benzenesulfonamide
CID 160738755
4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium
CID 161443906
4-tert-butyl-N-[7-chloro-2-[(4-methyl-3-pyridinyl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204615
[5-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]-4-methyl-3-pyridinyl] methanesulfonate
CID 137447547
N-[7-methoxy-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 118204961
4-tert-butyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 121198210
4-tert-butyl-N-[7-chloro-2-[(5-hydroxy-3-pyridinyl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 144874800

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).