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

1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61419915
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 30328284
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
CID 60705715
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
CID 55430697
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709984
(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55943594

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).