methyl 4-[methoxy(methyl)sulfamoyl]benzoate

C10H13NO5S — CID 35459995

IUPACmethyl 4-[methoxy(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C10H13NO5S/c1-11(16-3)17(13,14)9-6-4-8(5-7-9)10(12)15-2/h4-7H,1-3H3
InChIKeyPPBZQIMSVFRMNX-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.66
Rot. Bonds4

About methyl 4-[methoxy(methyl)sulfamoyl]benzoate

methyl 4-[methoxy(methyl)sulfamoyl]benzoate (PubChem CID 35459995) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 4-[methoxy(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[methoxy(methyl)sulfamoyl]benzoate
PubChem CID35459995
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 4-[methoxy(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C10H13NO5S/c1-11(16-3)17(13,14)9-6-4-8(5-7-9)10(12)15-2/h4-7H,1-3H3
InChIKeyPPBZQIMSVFRMNX-UHFFFAOYSA-N
XLogP0.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8958378
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944089
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943815
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944092
[2-(4-chlorophenyl)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943217
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]benzoate
CID 107203072
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385
[2-(N-methylanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943232
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methoxy(methyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[methoxy(methyl)sulfamoyl]benzoate (CID 35459995) is methyl 4-[methoxy(methyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[methoxy(methyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[methoxy(methyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1.
What is the InChIKey of methyl 4-[methoxy(methyl)sulfamoyl]benzoate?
The InChIKey is PPBZQIMSVFRMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-11(16-3)17(13,14)9-6-4-8(5-7-9)10(12)15-2/h4-7H,1-3H3.
What are the key properties of methyl 4-[methoxy(methyl)sulfamoyl]benzoate?
methyl 4-[methoxy(methyl)sulfamoyl]benzoate has a molecular weight of 259.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methoxy(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 35459995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).