4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide

C12H17BrN2O3S — CID 166390787

IUPAC4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1C
InChIInChI=1S/C12H17BrN2O3S/c1-4-15(5-2)12(16)9-7-11(19(14,17)18)10(13)6-8(9)3/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyXMURRHCADHCCOX-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.89
Rot. Bonds4

About 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide

4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide (PubChem CID 166390787) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
PubChem CID166390787
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1C
InChIInChI=1S/C12H17BrN2O3S/c1-4-15(5-2)12(16)9-7-11(19(14,17)18)10(13)6-8(9)3/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyXMURRHCADHCCOX-UHFFFAOYSA-N
XLogP1.89
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide (CID 166390787) is 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide is CCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1C.
What is the InChIKey of 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide?
The InChIKey is XMURRHCADHCCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-4-15(5-2)12(16)9-7-11(19(14,17)18)10(13)6-8(9)3/h6-7H,4-5H2,1-3H3,(H2,14,17,18).
What are the key properties of 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide?
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide has a molecular weight of 349.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 166390787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).