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

C24H23N3O4S — CID 118197424

IUPAC4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C24H23N3O4S/c1-15-7-12-19(26-32(30,31)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-25-14-17/h5-14,26H,1-4H3
InChIKeyRSMBWEDUZBENPT-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.29
Rot. Bonds4

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

4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide (PubChem CID 118197424) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
PubChem CID118197424
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C24H23N3O4S/c1-15-7-12-19(26-32(30,31)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-25-14-17/h5-14,26H,1-4H3
InChIKeyRSMBWEDUZBENPT-UHFFFAOYSA-N
XLogP4.29
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
4-tert-butyl-N-[7-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118197428
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
5-{[3-(Aminosulfonyl)benzoyl]amino}-2-methyl-n-pyridin-3-ylbenzamide
CID 44571913
2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylbenzamide
CID 69643651
4-tert-butyl-N-[7-chloro-2-[(1-oxidopyridin-1-ium-3-yl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118197423
4-tert-butyl-N-[7-chloro-2-(2-methyl-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118197452
4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118197480
4-tert-butyl-N-[7-chloro-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118197481
4-tert-butyl-N-(7-chloro-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197490
4-tert-butyl-N-[7-chloro-2-(5-methyl-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118197510
4-tert-butyl-N-[7-cyano-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118197515

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide (CID 118197424) is 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1cccnc1)C2=O.
What is the InChIKey of 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
The InChIKey is RSMBWEDUZBENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-15-7-12-19(26-32(30,31)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-25-14-17/h5-14,26H,1-4H3.
What are the key properties of 4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide?
4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 4.29, 4 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-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118197424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).