ethyl 3-(phenylsulfamoyl)benzoate

C15H15NO4S — CID 100552593

IUPACethyl 3-(phenylsulfamoyl)benzoate
SMILESCCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c1-2-20-15(17)12-7-6-10-14(11-12)21(18,19)16-13-8-4-3-5-9-13/h3-11,16H,2H2,1H3
InChIKeyIVRLWMLETKENNW-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.66
Rot. Bonds5

About ethyl 3-(phenylsulfamoyl)benzoate

ethyl 3-(phenylsulfamoyl)benzoate (PubChem CID 100552593) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 3-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(phenylsulfamoyl)benzoate
PubChem CID100552593
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Nameethyl 3-(phenylsulfamoyl)benzoate
SMILESCCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H15NO4S/c1-2-20-15(17)12-7-6-10-14(11-12)21(18,19)16-13-8-4-3-5-9-13/h3-11,16H,2H2,1H3
InChIKeyIVRLWMLETKENNW-UHFFFAOYSA-N
XLogP2.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
lithium 3-ethoxycarbonylbenzenesulfonate
CID 161286233
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706788
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706772
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152
[2-(N-ethylanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623656
(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate
CID 7249323
ethyl 3-(2-methylbutan-2-ylsulfamoyl)benzoate
CID 60610967

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(phenylsulfamoyl)benzoate?
The IUPAC name of ethyl 3-(phenylsulfamoyl)benzoate (CID 100552593) is ethyl 3-(phenylsulfamoyl)benzoate.
What is the SMILES notation for ethyl 3-(phenylsulfamoyl)benzoate?
The canonical SMILES for ethyl 3-(phenylsulfamoyl)benzoate is CCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of ethyl 3-(phenylsulfamoyl)benzoate?
The InChIKey is IVRLWMLETKENNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-20-15(17)12-7-6-10-14(11-12)21(18,19)16-13-8-4-3-5-9-13/h3-11,16H,2H2,1H3.
What are the key properties of ethyl 3-(phenylsulfamoyl)benzoate?
ethyl 3-(phenylsulfamoyl)benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 100552593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).