5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide

C7H6BrN3O4S2 — CID 8818864

IUPAC5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide
SMILESO=C1CN(NS(=O)(=O)c2ccc(Br)s2)C(=O)N1
InChIInChI=1S/C7H6BrN3O4S2/c8-4-1-2-6(16-4)17(14,15)10-11-3-5(12)9-7(11)13/h1-2,10H,3H2,(H,9,12,13)
InChIKeyCWZFBLINHWBIRQ-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.26
Rot. Bonds3

About 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide

5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide (PubChem CID 8818864) has the molecular formula C7H6BrN3O4S2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide
PubChem CID8818864
Molecular FormulaC7H6BrN3O4S2
Molecular Weight340.18 g/mol
Exact Mass338.90
IUPAC Name5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide
SMILESO=C1CN(NS(=O)(=O)c2ccc(Br)s2)C(=O)N1
InChIInChI=1S/C7H6BrN3O4S2/c8-4-1-2-6(16-4)17(14,15)10-11-3-5(12)9-7(11)13/h1-2,10H,3H2,(H,9,12,13)
InChIKeyCWZFBLINHWBIRQ-UHFFFAOYSA-N
XLogP0.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide (CID 8818864) is 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide is O=C1CN(NS(=O)(=O)c2ccc(Br)s2)C(=O)N1.
What is the InChIKey of 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide?
The InChIKey is CWZFBLINHWBIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O4S2/c8-4-1-2-6(16-4)17(14,15)10-11-3-5(12)9-7(11)13/h1-2,10H,3H2,(H,9,12,13).
What are the key properties of 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide?
5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide has a molecular weight of 340.18 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 8818864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).