methyl 2-(benzoylsulfamoyl)benzoate

C15H13NO5S — CID 753816

IUPACmethyl 2-(benzoylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
InChIInChI=1S/C15H13NO5S/c1-21-15(18)12-9-5-6-10-13(12)22(19,20)16-14(17)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,17)
InChIKeyIGMUUIUQRRIODP-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.59
Rot. Bonds4

About methyl 2-(benzoylsulfamoyl)benzoate

methyl 2-(benzoylsulfamoyl)benzoate (PubChem CID 753816) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is methyl 2-(benzoylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(benzoylsulfamoyl)benzoate
PubChem CID753816
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Namemethyl 2-(benzoylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
InChIInChI=1S/C15H13NO5S/c1-21-15(18)12-9-5-6-10-13(12)22(19,20)16-14(17)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,17)
InChIKeyIGMUUIUQRRIODP-UHFFFAOYSA-N
XLogP1.59
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoic acid, 2-(aminosulfonyl)-, methyl ester
CID 42546
Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate
CID 185403
Methyl 4-sulphamoylbenzoate
CID 89847
Benzoic acid, 3-(aminosulfonyl)-, methyl ester
CID 108836
Skf 7711
CID 26441
Ethyl 2-(Aminosulfonyl)benzoate
CID 4652880
Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester
CID 156281
Benzoic acid, 2-(isocyanatosulfonyl)-, ethyl ester
CID 13386652
Methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate
CID 17937780
2-(Benzylsulfamoyl)benzoic acid
CID 83379931
Benzoic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester
CID 10358434
(1,1,3-Trioxo-1,2-benzothiazol-2-yl)methyl 2,6-difluorobenzoate
CID 10338134

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzoylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(benzoylsulfamoyl)benzoate (CID 753816) is methyl 2-(benzoylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(benzoylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(benzoylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-(benzoylsulfamoyl)benzoate?
The InChIKey is IGMUUIUQRRIODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c1-21-15(18)12-9-5-6-10-13(12)22(19,20)16-14(17)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,17).
What are the key properties of methyl 2-(benzoylsulfamoyl)benzoate?
methyl 2-(benzoylsulfamoyl)benzoate has a molecular weight of 319.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzoylsulfamoyl)benzoate is sourced from PubChem (CID 753816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).