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

C12H17BrN2O3S — CID 47163482

IUPAC2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCC(C)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-8(2)7-15(3)12(16)10-6-9(19(14,17)18)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H2,14,17,18)
InChIKeyDQMMDHKHVSEJBI-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.82
Rot. Bonds4

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

2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide (PubChem CID 47163482) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
PubChem CID47163482
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCC(C)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-8(2)7-15(3)12(16)10-6-9(19(14,17)18)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H2,14,17,18)
InChIKeyDQMMDHKHVSEJBI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271847
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 8638497
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 8638501
4-bromo-3-[cyclopropyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65370250

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide (CID 47163482) is 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide is CC(C)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The InChIKey is DQMMDHKHVSEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-8(2)7-15(3)12(16)10-6-9(19(14,17)18)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H2,14,17,18).
What are the key properties of 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide has a molecular weight of 349.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 47163482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).