N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide

C10H10Br2N2O4S — CID 67885978

IUPACN-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide
SMILESCCC(=O)C(=O)Nc1cc(Br)cc(Br)c1S(N)(=O)=O
InChIInChI=1S/C10H10Br2N2O4S/c1-2-8(15)10(16)14-7-4-5(11)3-6(12)9(7)19(13,17)18/h3-4H,2H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyVEZXPACHYKAGBD-UHFFFAOYSA-N
MW414.08 g/mol
LogP1.78
Rot. Bonds4

About N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide

N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide (PubChem CID 67885978) has the molecular formula C10H10Br2N2O4S and a molecular weight of 414.08 g/mol. Its IUPAC name is N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide
PubChem CID67885978
Molecular FormulaC10H10Br2N2O4S
Molecular Weight414.08 g/mol
Exact Mass411.87
IUPAC NameN-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide
SMILESCCC(=O)C(=O)Nc1cc(Br)cc(Br)c1S(N)(=O)=O
InChIInChI=1S/C10H10Br2N2O4S/c1-2-8(15)10(16)14-7-4-5(11)3-6(12)9(7)19(13,17)18/h3-4H,2H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyVEZXPACHYKAGBD-UHFFFAOYSA-N
XLogP1.78
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.08
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide?
The IUPAC name of N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide (CID 67885978) is N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide.
What is the SMILES notation for N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide?
The canonical SMILES for N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide is CCC(=O)C(=O)Nc1cc(Br)cc(Br)c1S(N)(=O)=O.
What is the InChIKey of N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide?
The InChIKey is VEZXPACHYKAGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O4S/c1-2-8(15)10(16)14-7-4-5(11)3-6(12)9(7)19(13,17)18/h3-4H,2H2,1H3,(H,14,16)(H2,13,17,18).
What are the key properties of N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide?
N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide has a molecular weight of 414.08 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-sulfamoylphenyl)-2-oxobutanamide is sourced from PubChem (CID 67885978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).