3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide

C11H14Br2N2O3S — CID 113349718

IUPAC3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H14Br2N2O3S/c1-2-15-19(17,18)4-3-14-11(16)8-5-9(12)7-10(13)6-8/h5-7,15H,2-4H2,1H3,(H,14,16)
InChIKeyCTWNGGHEULMVCM-UHFFFAOYSA-N
MW414.12 g/mol
LogP1.88
Rot. Bonds6

About 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide

3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide (PubChem CID 113349718) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
PubChem CID113349718
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC Name3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H14Br2N2O3S/c1-2-15-19(17,18)4-3-14-11(16)8-5-9(12)7-10(13)6-8/h5-7,15H,2-4H2,1H3,(H,14,16)
InChIKeyCTWNGGHEULMVCM-UHFFFAOYSA-N
XLogP1.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 113233794
N-[2-(ethylsulfamoyl)ethyl]-3,5-dimethoxybenzamide
CID 7619023
2,4-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 103882820
3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
CID 106332827
3-bromo-5-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342816
3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 106333123
3,5-dibromo-N-(2-sulfanylethyl)benzamide
CID 118586538
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide
CID 106336133
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106342102

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide (CID 113349718) is 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide is CCNS(=O)(=O)CCNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide?
The InChIKey is CTWNGGHEULMVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c1-2-15-19(17,18)4-3-14-11(16)8-5-9(12)7-10(13)6-8/h5-7,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide?
3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide has a molecular weight of 414.12 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 113349718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).