methyl 2-(phenylsulfamoyl)benzoate

C14H13NO4S — CID 7939210

IUPACmethyl 2-(phenylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H13NO4S/c1-19-14(16)12-9-5-6-10-13(12)20(17,18)15-11-7-3-2-4-8-11/h2-10,15H,1H3
InChIKeySMSHOTBRKCHCJD-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-(phenylsulfamoyl)benzoate

methyl 2-(phenylsulfamoyl)benzoate (PubChem CID 7939210) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(phenylsulfamoyl)benzoate
PubChem CID7939210
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Namemethyl 2-(phenylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H13NO4S/c1-19-14(16)12-9-5-6-10-13(12)20(17,18)15-11-7-3-2-4-8-11/h2-10,15H,1H3
InChIKeySMSHOTBRKCHCJD-UHFFFAOYSA-N
XLogP2.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 2-(phenylsulfamoyl)pyridine-3-carboxylate
CID 67044506
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate
CID 55572892
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
CID 12857942
methyl 2-[[4-methyl-3-(methylsulfamoyl)phenyl]sulfamoyl]benzoate
CID 8519727
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
methyl 2-amino-4-chloro-5-(phenylsulfamoyl)benzoate
CID 154097615
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773

Frequently Asked Questions

What is the IUPAC name of methyl 2-(phenylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(phenylsulfamoyl)benzoate (CID 7939210) is methyl 2-(phenylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(phenylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(phenylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-(phenylsulfamoyl)benzoate?
The InChIKey is SMSHOTBRKCHCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-19-14(16)12-9-5-6-10-13(12)20(17,18)15-11-7-3-2-4-8-11/h2-10,15H,1H3.
What are the key properties of methyl 2-(phenylsulfamoyl)benzoate?
methyl 2-(phenylsulfamoyl)benzoate has a molecular weight of 291.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 7939210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).