4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C24H17N3O5S2 — CID 1280564

IUPAC4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)Nc4nccs4)cc2)C3=O)cc1
InChIInChI=1S/C24H17N3O5S2/c1-15-2-6-17(7-3-15)32-18-8-11-20-21(14-18)23(29)27(22(20)28)16-4-9-19(10-5-16)34(30,31)26-24-25-12-13-33-24/h2-14H,1H3,(H,25,26)
InChIKeyZEEPBUPXVCDQMC-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.85
Rot. Bonds6

About 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 1280564) has the molecular formula C24H17N3O5S2 and a molecular weight of 491.55 g/mol. Its IUPAC name is 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID1280564
Molecular FormulaC24H17N3O5S2
Molecular Weight491.55 g/mol
Exact Mass491.06
IUPAC Name4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)Nc4nccs4)cc2)C3=O)cc1
InChIInChI=1S/C24H17N3O5S2/c1-15-2-6-17(7-3-15)32-18-8-11-20-21(14-18)23(29)27(22(20)28)16-4-9-19(10-5-16)34(30,31)26-24-25-12-13-33-24/h2-14H,1H3,(H,25,26)
InChIKeyZEEPBUPXVCDQMC-UHFFFAOYSA-N
XLogP4.85
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 1280564) is 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)Nc4nccs4)cc2)C3=O)cc1.
What is the InChIKey of 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZEEPBUPXVCDQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5S2/c1-15-2-6-17(7-3-15)32-18-8-11-20-21(14-18)23(29)27(22(20)28)16-4-9-19(10-5-16)34(30,31)26-24-25-12-13-33-24/h2-14H,1H3,(H,25,26).
What are the key properties of 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 491.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1280564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).