ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate

C15H14BrNO4S — CID 1120504

IUPACethyl 4-[(4-bromophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-2-21-15(18)11-3-7-13(8-4-11)17-22(19,20)14-9-5-12(16)6-10-14/h3-10,17H,2H2,1H3
InChIKeyBBZFHMXGOHAAEJ-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.43
Rot. Bonds5

About ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate

ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate (PubChem CID 1120504) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-bromophenyl)sulfonylamino]benzoate
PubChem CID1120504
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Nameethyl 4-[(4-bromophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-2-21-15(18)11-3-7-13(8-4-11)17-22(19,20)14-9-5-12(16)6-10-14/h3-10,17H,2H2,1H3
InChIKeyBBZFHMXGOHAAEJ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate (CID 1120504) is ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate?
The InChIKey is BBZFHMXGOHAAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-2-21-15(18)11-3-7-13(8-4-11)17-22(19,20)14-9-5-12(16)6-10-14/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate?
ethyl 4-[(4-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 4-[(4-bromophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 1120504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).