2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide

C22H14N4O5S2 — CID 4152164

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3N3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C22H14N4O5S2/c23-33(30,31)12-9-10-16-18(11-12)32-22(24-16)25-19(27)15-7-3-4-8-17(15)26-20(28)13-5-1-2-6-14(13)21(26)29/h1-11H,(H2,23,30,31)(H,24,25,27)
InChIKeyUFAOXSFFTBZNBP-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.00
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide

2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4152164) has the molecular formula C22H14N4O5S2 and a molecular weight of 478.51 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID4152164
Molecular FormulaC22H14N4O5S2
Molecular Weight478.51 g/mol
Exact Mass478.04
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3N3C(=O)c4ccccc4C3=O)sc2c1
InChIInChI=1S/C22H14N4O5S2/c23-33(30,31)12-9-10-16-18(11-12)32-22(24-16)25-19(27)15-7-3-4-8-17(15)26-20(28)13-5-1-2-6-14(13)21(26)29/h1-11H,(H2,23,30,31)(H,24,25,27)
InChIKeyUFAOXSFFTBZNBP-UHFFFAOYSA-N
XLogP3.00
TPSA139.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.00
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-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 5215287
4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 5151234
4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
4-(1,3-dioxoisoindol-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3464705
2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 7254675
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888296
(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138822
(2R)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138821
2-(1,3-dioxoisoindol-2-yl)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 3508106
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide (CID 4152164) is 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide is NS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3N3C(=O)c4ccccc4C3=O)sc2c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UFAOXSFFTBZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O5S2/c23-33(30,31)12-9-10-16-18(11-12)32-22(24-16)25-19(27)15-7-3-4-8-17(15)26-20(28)13-5-1-2-6-14(13)21(26)29/h1-11H,(H2,23,30,31)(H,24,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 478.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4152164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).