methoxysulfonyl N-methylbenzenecarboximidate

C9H11NO4S — CID 151610098

IUPACmethoxysulfonyl N-methylbenzenecarboximidate
SMILESC/N=C(\OS(=O)(=O)OC)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-10-9(14-15(11,12)13-2)8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9-
InChIKeyQMHSWUCUHFWPLV-KTKRTIGZSA-N
MW229.26 g/mol
LogP0.97
Rot. Bonds3

About methoxysulfonyl N-methylbenzenecarboximidate

methoxysulfonyl N-methylbenzenecarboximidate (PubChem CID 151610098) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methoxysulfonyl N-methylbenzenecarboximidate.

Molecular Properties

Compound Namemethoxysulfonyl N-methylbenzenecarboximidate
PubChem CID151610098
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethoxysulfonyl N-methylbenzenecarboximidate
SMILESC/N=C(\OS(=O)(=O)OC)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-10-9(14-15(11,12)13-2)8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9-
InChIKeyQMHSWUCUHFWPLV-KTKRTIGZSA-N
XLogP0.97
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methoxysulfonyl N-methylbenzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-methylbenzenecarboximidate
CID 519475
benzene;dimethyl sulfate
CID 87950048
methyl N-hydroxybenzenecarboximidate
CID 583889
(2,5-dihydroxypyrrol-1-yl) N-methylbenzenecarboximidate
CID 91421363
methyl N-acetylbenzenecarboximidate
CID 13028603
methyl N-methoxycarbonylbenzenecarboximidate
CID 86114469
[(E)-3,3-dimethoxy-1-phenylprop-1-en-2-yl] methyl sulfate
CID 177483159
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
dimethyl sulfate;phenol;piperazine
CID 158647991
(diphenyl-λ3-iodanyl) methyl sulfate
CID 140653140
methyl hydrogen sulfate;phenol
CID 174688864
ethyl N-(benzenesulfonyl)benzenecarboximidate
CID 21203329

Frequently Asked Questions

What is the IUPAC name of methoxysulfonyl N-methylbenzenecarboximidate?
The IUPAC name of methoxysulfonyl N-methylbenzenecarboximidate (CID 151610098) is methoxysulfonyl N-methylbenzenecarboximidate.
What is the SMILES notation for methoxysulfonyl N-methylbenzenecarboximidate?
The canonical SMILES for methoxysulfonyl N-methylbenzenecarboximidate is C/N=C(\OS(=O)(=O)OC)c1ccccc1.
What is the InChIKey of methoxysulfonyl N-methylbenzenecarboximidate?
The InChIKey is QMHSWUCUHFWPLV-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-10-9(14-15(11,12)13-2)8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9-.
What are the key properties of methoxysulfonyl N-methylbenzenecarboximidate?
methoxysulfonyl N-methylbenzenecarboximidate has a molecular weight of 229.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfonyl N-methylbenzenecarboximidate is sourced from PubChem (CID 151610098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).