4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C14H11N3O5S — CID 2808966

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)no1
InChIInChI=1S/C14H11N3O5S/c1-9-8-12(15-22-9)16-23(20,21)11-4-2-10(3-5-11)17-13(18)6-7-14(17)19/h2-8H,1H3,(H,15,16)
InChIKeyCSZMODVWPAZNCD-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.21
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 2808966) has the molecular formula C14H11N3O5S and a molecular weight of 333.33 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID2808966
Molecular FormulaC14H11N3O5S
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)no1
InChIInChI=1S/C14H11N3O5S/c1-9-8-12(15-22-9)16-23(20,21)11-4-2-10(3-5-11)17-13(18)6-7-14(17)19/h2-8H,1H3,(H,15,16)
InChIKeyCSZMODVWPAZNCD-UHFFFAOYSA-N
XLogP1.21
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.21
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-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 2808966) is 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)no1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is CSZMODVWPAZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S/c1-9-8-12(15-22-9)16-23(20,21)11-4-2-10(3-5-11)17-13(18)6-7-14(17)19/h2-8H,1H3,(H,15,16).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 333.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).