2,4-dibromo-N-butyl-5-sulfamoylbenzamide

C11H14Br2N2O3S — CID 126509349

IUPAC2,4-dibromo-N-butyl-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyQKIXSEIIKHMOKR-UHFFFAOYSA-N
MW414.12 g/mol
LogP2.39
Rot. Bonds5

About 2,4-dibromo-N-butyl-5-sulfamoylbenzamide

2,4-dibromo-N-butyl-5-sulfamoylbenzamide (PubChem CID 126509349) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is 2,4-dibromo-N-butyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-butyl-5-sulfamoylbenzamide
PubChem CID126509349
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC Name2,4-dibromo-N-butyl-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyQKIXSEIIKHMOKR-UHFFFAOYSA-N
XLogP2.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-butyl-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dibromo-N-butyl-5-sulfamoylbenzamide (CID 126509349) is 2,4-dibromo-N-butyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-butyl-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dibromo-N-butyl-5-sulfamoylbenzamide is CCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-butyl-5-sulfamoylbenzamide?
The InChIKey is QKIXSEIIKHMOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2,4-dibromo-N-butyl-5-sulfamoylbenzamide?
2,4-dibromo-N-butyl-5-sulfamoylbenzamide has a molecular weight of 414.12 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-butyl-5-sulfamoylbenzamide is sourced from PubChem (CID 126509349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).