ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate

C15H14BrNO4S — CID 8823790

IUPACethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO4S/c1-2-21-15(18)11-6-5-7-12(10-11)17-22(19,20)14-9-4-3-8-13(14)16/h3-10,17H,2H2,1H3
InChIKeyJDOYMHOOPDAKFA-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.43
Rot. Bonds5

About ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate

ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate (PubChem CID 8823790) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
PubChem CID8823790
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Nameethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO4S/c1-2-21-15(18)11-6-5-7-12(10-11)17-22(19,20)14-9-4-3-8-13(14)16/h3-10,17H,2H2,1H3
InChIKeyJDOYMHOOPDAKFA-UHFFFAOYSA-N
XLogP3.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5088845
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
ethyl 3-[[2-fluoro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 142738796
sodium N-(3-ethoxycarbonylphenyl)sulfamate
CID 23679809
ethyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504139
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 19683978
ethyl 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504892
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate (CID 8823790) is ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate is CCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate?
The InChIKey is JDOYMHOOPDAKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-2-21-15(18)11-6-5-7-12(10-11)17-22(19,20)14-9-4-3-8-13(14)16/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate?
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate has a molecular weight of 384.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 8823790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).