methyl acetate;(sulfamoylamino)benzene

C9H14N2O4S — CID 174769394

IUPACmethyl acetate;(sulfamoylamino)benzene
SMILESCOC(C)=O.NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C6H8N2O2S.C3H6O2/c7-11(9,10)8-6-4-2-1-3-5-6;1-3(4)5-2/h1-5,8H,(H2,7,9,10);1-2H3
InChIKeyXWEAHYNFAUAICI-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.48
Rot. Bonds2

About methyl acetate;(sulfamoylamino)benzene

methyl acetate;(sulfamoylamino)benzene (PubChem CID 174769394) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is methyl acetate;(sulfamoylamino)benzene.

Molecular Properties

Compound Namemethyl acetate;(sulfamoylamino)benzene
PubChem CID174769394
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Namemethyl acetate;(sulfamoylamino)benzene
SMILESCOC(C)=O.NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C6H8N2O2S.C3H6O2/c7-11(9,10)8-6-4-2-1-3-5-6;1-3(4)5-2/h1-5,8H,(H2,7,9,10);1-2H3
InChIKeyXWEAHYNFAUAICI-UHFFFAOYSA-N
XLogP0.48
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl benzoate;(sulfamoylamino)benzene
CID 174928336
benzene;(sulfamoylamino)benzene
CID 174742453
benzene;ethane;methanesulfonic acid;methyl acetate
CID 161432944
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
CID 10214581
ethane;N-(methylsulfamoyl)aniline
CID 91119809
phenylsulfamoylformic acid
CID 57244146
benzene;ethane;methyl acetate;phenol
CID 162170522
acetic acid;N-methoxyaniline
CID 174899473
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
(E)-3-[3-(sulfamoylamino)phenyl]prop-2-enoic acid
CID 114959003
benzene;methyl acetate;hydroiodide
CID 174288307
2-hydroxybenzoic acid;methyl acetate
CID 157381538

Frequently Asked Questions

What is the IUPAC name of methyl acetate;(sulfamoylamino)benzene?
The IUPAC name of methyl acetate;(sulfamoylamino)benzene (CID 174769394) is methyl acetate;(sulfamoylamino)benzene.
What is the SMILES notation for methyl acetate;(sulfamoylamino)benzene?
The canonical SMILES for methyl acetate;(sulfamoylamino)benzene is COC(C)=O.NS(=O)(=O)Nc1ccccc1.
What is the InChIKey of methyl acetate;(sulfamoylamino)benzene?
The InChIKey is XWEAHYNFAUAICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.C3H6O2/c7-11(9,10)8-6-4-2-1-3-5-6;1-3(4)5-2/h1-5,8H,(H2,7,9,10);1-2H3.
What are the key properties of methyl acetate;(sulfamoylamino)benzene?
methyl acetate;(sulfamoylamino)benzene has a molecular weight of 246.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;(sulfamoylamino)benzene is sourced from PubChem (CID 174769394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).