1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene

C8H12N2O3S — CID 112689195

IUPAC1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(O)cc1)S(N)(=O)=O
InChIInChI=1S/C8H12N2O3S/c1-10(14(9,12)13)6-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H2,9,12,13)
InChIKeyZNCKGVKGADCZBF-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.03
Rot. Bonds3

About 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene

1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene (PubChem CID 112689195) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
PubChem CID112689195
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(O)cc1)S(N)(=O)=O
InChIInChI=1S/C8H12N2O3S/c1-10(14(9,12)13)6-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H2,9,12,13)
InChIKeyZNCKGVKGADCZBF-UHFFFAOYSA-N
XLogP0.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene (CID 112689195) is 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene is CN(Cc1ccc(O)cc1)S(N)(=O)=O.
What is the InChIKey of 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The InChIKey is ZNCKGVKGADCZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-10(14(9,12)13)6-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H2,9,12,13).
What are the key properties of 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene?
1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene has a molecular weight of 216.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 112689195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).