1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene

C11H17BrN2O2S — CID 115969609

IUPAC1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene
SMILESCC(C)NS(=O)(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-9(2)13-17(15,16)14(3)8-10-6-4-5-7-11(10)12/h4-7,9,13H,8H2,1-3H3
InChIKeyAVOMXUIPOIZIIE-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.12
Rot. Bonds5

About 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene

1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene (PubChem CID 115969609) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene
PubChem CID115969609
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene
SMILESCC(C)NS(=O)(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-9(2)13-17(15,16)14(3)8-10-6-4-5-7-11(10)12/h4-7,9,13H,8H2,1-3H3
InChIKeyAVOMXUIPOIZIIE-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzenemethanamine, 2-bromo-N-butyl-
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2-Bromomethamphetamine
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[(2-Bromophenyl)Methyl](Ethyl)Amine Hydrochloride
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1-(2-Bromophenyl)ethan-1-amine
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N-(2-bromobenzyl)propan-2-amine
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(1-(4-Bromophenyl)ethyl)(methyl)amine
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[(2-Bromophenyl)methyl](propyl)amine
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N-((1S)-1-(4-bromophenyl)ethyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene (CID 115969609) is 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene is CC(C)NS(=O)(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene?
The InChIKey is AVOMXUIPOIZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-9(2)13-17(15,16)14(3)8-10-6-4-5-7-11(10)12/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene?
1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene has a molecular weight of 321.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 115969609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).