1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene

C8H11BrN2O2S — CID 60728273

IUPAC1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccccc1Br)S(N)(=O)=O
InChIInChI=1S/C8H11BrN2O2S/c1-11(14(10,12)13)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKeyOCNQTQFLBQRXIY-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.08
Rot. Bonds3

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

1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene (PubChem CID 60728273) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
PubChem CID60728273
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccccc1Br)S(N)(=O)=O
InChIInChI=1S/C8H11BrN2O2S/c1-11(14(10,12)13)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKeyOCNQTQFLBQRXIY-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene
CID 115969609
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61419915
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 30328284
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007
N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709984
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
1,1-bis[(2-bromophenyl)methyl]hydrazine
CID 175527496

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene (CID 60728273) is 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene is CN(Cc1ccccc1Br)S(N)(=O)=O.
What is the InChIKey of 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene?
The InChIKey is OCNQTQFLBQRXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-11(14(10,12)13)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3,(H2,10,12,13).
What are the key properties of 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene?
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene has a molecular weight of 279.16 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 60728273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).