4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H11N3O4S2 — CID 979008

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H11N3O4S2/c21-15-13-3-1-2-4-14(13)16(22)20(15)11-5-7-12(8-6-11)26(23,24)19-17-18-9-10-25-17/h1-10H,(H,18,19)
InChIKeyZFHAWZASDIKRQC-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.74
Rot. Bonds4

About 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 979008) has the molecular formula C17H11N3O4S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID979008
Molecular FormulaC17H11N3O4S2
Molecular Weight385.43 g/mol
Exact Mass385.02
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H11N3O4S2/c21-15-13-3-1-2-4-14(13)16(22)20(15)11-5-7-12(8-6-11)26(23,24)19-17-18-9-10-25-17/h1-10H,(H,18,19)
InChIKeyZFHAWZASDIKRQC-UHFFFAOYSA-N
XLogP2.74
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 979008) is 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZFHAWZASDIKRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4S2/c21-15-13-3-1-2-4-14(13)16(22)20(15)11-5-7-12(8-6-11)26(23,24)19-17-18-9-10-25-17/h1-10H,(H,18,19).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 385.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 979008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).