3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide

C11H15BrN2O3S — CID 65375571

IUPAC3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCC(C)CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15BrN2O3S/c1-7(2)6-14-11(15)8-3-9(12)5-10(4-8)18(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyMQCQOICHDBYIGG-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.48
Rot. Bonds4

About 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide

3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide (PubChem CID 65375571) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide
PubChem CID65375571
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCC(C)CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15BrN2O3S/c1-7(2)6-14-11(15)8-3-9(12)5-10(4-8)18(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyMQCQOICHDBYIGG-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-methylprop-2-enyl)-5-sulfamoylbenzamide
CID 114618251
3-bromo-N-[(3-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107414855
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107420186
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
2-methoxyethyl 3-bromo-5-sulfamoylbenzoate
CID 65380862
4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65374609
3-bromo-N-(2-prop-2-enylsulfanylethyl)-5-sulfamoylbenzamide
CID 106432212
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide (CID 65375571) is 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide is CC(C)CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The InChIKey is MQCQOICHDBYIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-7(2)6-14-11(15)8-3-9(12)5-10(4-8)18(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide?
3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide has a molecular weight of 335.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65375571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).