2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide

C11H14BrN3O5S — CID 106336133

IUPAC2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H14BrN3O5S/c1-2-14-21(19,20)6-5-13-11(16)9-7-8(15(17)18)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3,(H,13,16)
InChIKeyJKMHWTXAOPFIBD-UHFFFAOYSA-N
MW380.22 g/mol
LogP1.03
Rot. Bonds7

About 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide

2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide (PubChem CID 106336133) has the molecular formula C11H14BrN3O5S and a molecular weight of 380.22 g/mol. Its IUPAC name is 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide
PubChem CID106336133
Molecular FormulaC11H14BrN3O5S
Molecular Weight380.22 g/mol
Exact Mass378.98
IUPAC Name2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H14BrN3O5S/c1-2-14-21(19,20)6-5-13-11(16)9-7-8(15(17)18)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3,(H,13,16)
InChIKeyJKMHWTXAOPFIBD-UHFFFAOYSA-N
XLogP1.03
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(methylsulfamoyl)ethyl]-5-nitrobenzamide
CID 106336080
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-bromo-5-nitro-N-[2-(propylamino)ethyl]benzamide
CID 62657860
2,4-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 103882820
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-nitrobenzamide
CID 83040350
2-bromo-N-(4-cyanobutyl)-5-nitrobenzamide
CID 63284303
2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63823221
2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
CID 62155328
2-bromo-N-(2,2-diethoxyethyl)-5-nitrobenzamide
CID 79538296
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
CID 103766411
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-bromo-5-nitrobenzamide
CID 106235460
3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 113349718

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide (CID 106336133) is 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide is CCNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide?
The InChIKey is JKMHWTXAOPFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O5S/c1-2-14-21(19,20)6-5-13-11(16)9-7-8(15(17)18)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3,(H,13,16).
What are the key properties of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide?
2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide has a molecular weight of 380.22 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(ethylsulfamoyl)ethyl]-5-nitrobenzamide is sourced from PubChem (CID 106336133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).