N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide

C7H9BrN2O3S2 — CID 79994957

IUPACN'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C7H9BrN2O3S2/c1-4-3-6(14-7(4)8)15(12,13)10-9-5(2)11/h3,10H,1-2H3,(H,9,11)
InChIKeyQVKVYORTUPULDN-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.15
Rot. Bonds3

About N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide

N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide (PubChem CID 79994957) has the molecular formula C7H9BrN2O3S2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
PubChem CID79994957
Molecular FormulaC7H9BrN2O3S2
Molecular Weight313.20 g/mol
Exact Mass311.92
IUPAC NameN'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C7H9BrN2O3S2/c1-4-3-6(14-7(4)8)15(12,13)10-9-5(2)11/h3,10H,1-2H3,(H,9,11)
InChIKeyQVKVYORTUPULDN-UHFFFAOYSA-N
XLogP1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide?
The IUPAC name of N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide (CID 79994957) is N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide?
The canonical SMILES for N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide?
The InChIKey is QVKVYORTUPULDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3S2/c1-4-3-6(14-7(4)8)15(12,13)10-9-5(2)11/h3,10H,1-2H3,(H,9,11).
What are the key properties of N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide?
N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide has a molecular weight of 313.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide is sourced from PubChem (CID 79994957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).