3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide

C12H17BrN2O4S — CID 81074001

IUPAC3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17BrN2O4S/c1-3-19-5-4-15(2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyCSDLTWGHDSVXBZ-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.21
Rot. Bonds6

About 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide

3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide (PubChem CID 81074001) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
PubChem CID81074001
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17BrN2O4S/c1-3-19-5-4-15(2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyCSDLTWGHDSVXBZ-UHFFFAOYSA-N
XLogP1.21
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81063673
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
5-bromo-N-(2-ethoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 81074713
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide
CID 65387565
2-methoxyethyl 3-bromo-5-sulfamoylbenzoate
CID 65380862
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide (CID 81074001) is 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide is CCOCCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
The InChIKey is CSDLTWGHDSVXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-3-19-5-4-15(2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18).
What are the key properties of 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide?
3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide has a molecular weight of 365.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81074001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).