[methyl(sulfamoyl)amino]methylbenzene

C8H12N2O2S — CID 19889027

IUPAC[methyl(sulfamoyl)amino]methylbenzene
SMILESCN(Cc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-10(13(9,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,9,11,12)
InChIKeyDLRUAUAERCIPNG-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.32
Rot. Bonds3

About [methyl(sulfamoyl)amino]methylbenzene

[methyl(sulfamoyl)amino]methylbenzene (PubChem CID 19889027) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is [methyl(sulfamoyl)amino]methylbenzene.

Molecular Properties

Compound Name[methyl(sulfamoyl)amino]methylbenzene
PubChem CID19889027
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name[methyl(sulfamoyl)amino]methylbenzene
SMILESCN(Cc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-10(13(9,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,9,11,12)
InChIKeyDLRUAUAERCIPNG-UHFFFAOYSA-N
XLogP0.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [methyl(sulfamoyl)amino]methylbenzene?
The IUPAC name of [methyl(sulfamoyl)amino]methylbenzene (CID 19889027) is [methyl(sulfamoyl)amino]methylbenzene.
What is the SMILES notation for [methyl(sulfamoyl)amino]methylbenzene?
The canonical SMILES for [methyl(sulfamoyl)amino]methylbenzene is CN(Cc1ccccc1)S(N)(=O)=O.
What is the InChIKey of [methyl(sulfamoyl)amino]methylbenzene?
The InChIKey is DLRUAUAERCIPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-10(13(9,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,9,11,12).
What are the key properties of [methyl(sulfamoyl)amino]methylbenzene?
[methyl(sulfamoyl)amino]methylbenzene has a molecular weight of 200.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfamoyl)amino]methylbenzene is sourced from PubChem (CID 19889027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).