5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide

C12H17BrN2O4S — CID 65387443

IUPAC5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
SMILESCOCCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H17BrN2O4S/c1-8-10(12(16)15(2)4-5-19-3)6-9(13)7-11(8)20(14,17)18/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyBWAMAHXMODPNHO-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.12
Rot. Bonds5

About 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide

5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide (PubChem CID 65387443) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
PubChem CID65387443
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
SMILESCOCCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H17BrN2O4S/c1-8-10(12(16)15(2)4-5-19-3)6-9(13)7-11(8)20(14,17)18/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyBWAMAHXMODPNHO-UHFFFAOYSA-N
XLogP1.12
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
3-[(5-bromo-2-methyl-3-sulfamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122111706
5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 65387721
5-bromo-N-(2-methoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387444
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81478870
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
CID 65388297
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
CID 82890834

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide (CID 65387443) is 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide is COCCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide?
The InChIKey is BWAMAHXMODPNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-8-10(12(16)15(2)4-5-19-3)6-9(13)7-11(8)20(14,17)18/h6-7H,4-5H2,1-3H3,(H2,14,17,18).
What are the key properties of 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide?
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide has a molecular weight of 365.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).