1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene

C8H11FN2O2S — CID 43132044

IUPAC1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1cccc(F)c1)S(N)(=O)=O
InChIInChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKeyMTNUKOMLMCLFRR-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.46
Rot. Bonds3

About 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene

1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene (PubChem CID 43132044) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene
PubChem CID43132044
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1cccc(F)c1)S(N)(=O)=O
InChIInChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKeyMTNUKOMLMCLFRR-UHFFFAOYSA-N
XLogP0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene (CID 43132044) is 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene is CN(Cc1cccc(F)c1)S(N)(=O)=O.
What is the InChIKey of 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene?
The InChIKey is MTNUKOMLMCLFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13).
What are the key properties of 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene?
1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene has a molecular weight of 218.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[[methyl(sulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 43132044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).