5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide

C12H18BrN3O3S — CID 119507070

IUPAC5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
SMILESCCNCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H18BrN3O3S/c1-3-15-4-5-16-12(17)10-6-9(13)7-11(8(10)2)20(14,18)19/h6-7,15H,3-5H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyLCTKZLQLASOKNB-UHFFFAOYSA-N
MW364.27 g/mol
LogP0.74
Rot. Bonds6

About 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide

5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide (PubChem CID 119507070) has the molecular formula C12H18BrN3O3S and a molecular weight of 364.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
PubChem CID119507070
Molecular FormulaC12H18BrN3O3S
Molecular Weight364.27 g/mol
Exact Mass363.03
IUPAC Name5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
SMILESCCNCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H18BrN3O3S/c1-3-15-4-5-16-12(17)10-6-9(13)7-11(8(10)2)20(14,18)19/h6-7,15H,3-5H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyLCTKZLQLASOKNB-UHFFFAOYSA-N
XLogP0.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
CID 119512294
5-bromo-3-(2-methoxyethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65368654
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
CID 65388297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide (CID 119507070) is 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide is CCNCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide?
The InChIKey is LCTKZLQLASOKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S/c1-3-15-4-5-16-12(17)10-6-9(13)7-11(8(10)2)20(14,18)19/h6-7,15H,3-5H2,1-2H3,(H,16,17)(H2,14,18,19).
What are the key properties of 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide?
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide has a molecular weight of 364.27 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 119507070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).