4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C24H16N4O5S2 — CID 2083663

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H16N4O5S2/c29-21(26-16-7-11-18(12-8-16)35(32,33)27-24-25-13-14-34-24)15-5-9-17(10-6-15)28-22(30)19-3-1-2-4-20(19)23(28)31/h1-14H,(H,25,27)(H,26,29)
InChIKeyZMPFDMGADXQFLN-UHFFFAOYSA-N
MW504.55 g/mol
LogP4.00
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2083663) has the molecular formula C24H16N4O5S2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2083663
Molecular FormulaC24H16N4O5S2
Molecular Weight504.55 g/mol
Exact Mass504.06
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H16N4O5S2/c29-21(26-16-7-11-18(12-8-16)35(32,33)27-24-25-13-14-34-24)15-5-9-17(10-6-15)28-22(30)19-3-1-2-4-20(19)23(28)31/h1-14H,(H,25,27)(H,26,29)
InChIKeyZMPFDMGADXQFLN-UHFFFAOYSA-N
XLogP4.00
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide
CID 998021
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
3-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 5817814
Benzenesulfonamide, 4-(3-chloro-1,4-naphthoquinon-2-ylamino)-N-thiazol-2-yl-
CID 409040
3-phenyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 1115153
N-[4-(thiazol-2-ylsulfamoyl)phenyl]-2-[[2-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide
CID 471787
4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
CID 1982030
3-ethyl-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide
CID 2107430
4-(4-morpholinylsulfonyl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
CID 2130259
1-(4-methylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2963171
4-[3-(4-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
CID 3107107
2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 4852017

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 2083663) is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is ZMPFDMGADXQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O5S2/c29-21(26-16-7-11-18(12-8-16)35(32,33)27-24-25-13-14-34-24)15-5-9-17(10-6-15)28-22(30)19-3-1-2-4-20(19)23(28)31/h1-14H,(H,25,27)(H,26,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 504.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2083663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).