ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate

C13H12BrNO4S2 — CID 2194299

IUPACethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H12BrNO4S2/c1-2-19-13(16)9-3-5-10(6-4-9)15-21(17,18)12-8-7-11(14)20-12/h3-8,15H,2H2,1H3
InChIKeyWZOGFZOFQSYJHY-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.49
Rot. Bonds5

About ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate

ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate (PubChem CID 2194299) has the molecular formula C13H12BrNO4S2 and a molecular weight of 390.28 g/mol. Its IUPAC name is ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
PubChem CID2194299
Molecular FormulaC13H12BrNO4S2
Molecular Weight390.28 g/mol
Exact Mass388.94
IUPAC Nameethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H12BrNO4S2/c1-2-19-13(16)9-3-5-10(6-4-9)15-21(17,18)12-8-7-11(14)20-12/h3-8,15H,2H2,1H3
InChIKeyWZOGFZOFQSYJHY-UHFFFAOYSA-N
XLogP3.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)thiophene-2-sulfonamide
CID 713179
Methyl 4-[3-(5-bromothiophene-2-sulfonyl)propanamido]benzoate
CID 9551133
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
4-(Thiophene-2-sulfonylamino)-benzoic acid propyl ester
CID 646875
Methyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate
CID 961729
Ethyl 4-({[4-(methylthio)phenyl]sulfonyl}amino)benzoate
CID 1243052
Ethyl 4-[[2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 9551095
Ethyl 4-[3-(5-bromothiophene-2-sulfonyl)propanamido]benzoate
CID 9550389
(2-Oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
CID 3519185
Ethyl 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 1120504
Dimethyl 5-{[(4-bromophenyl)amino]sulfonyl}-3-methyl-2,4-thiophenedicarboxylate
CID 1190523

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate (CID 2194299) is ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
The InChIKey is WZOGFZOFQSYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO4S2/c1-2-19-13(16)9-3-5-10(6-4-9)15-21(17,18)12-8-7-11(14)20-12/h3-8,15H,2H2,1H3.
What are the key properties of ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate?
ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate has a molecular weight of 390.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 2194299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).