methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate

C15H14BrNO4S — CID 55353323

IUPACmethyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C15H14BrNO4S/c1-21-15(18)12-8-6-11(7-9-12)10-17-22(19,20)14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3
InChIKeyUQADEAGDXKSFQR-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.71
Rot. Bonds5

About methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate

methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate (PubChem CID 55353323) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
PubChem CID55353323
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Namemethyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C15H14BrNO4S/c1-21-15(18)12-8-6-11(7-9-12)10-17-22(19,20)14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3
InChIKeyUQADEAGDXKSFQR-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]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

methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
CID 47006128
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248637
2-bromo-N-[[4-(3-oxo-5-pyridin-3-ylpentyl)phenyl]methyl]benzenesulfonamide
CID 157053334
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
methyl 4-[(2-sulfamoylethylamino)methyl]benzoate
CID 43551871
2-bromo-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121896

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate (CID 55353323) is methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate is COC(=O)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1.
What is the InChIKey of methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate?
The InChIKey is UQADEAGDXKSFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-21-15(18)12-8-6-11(7-9-12)10-17-22(19,20)14-5-3-2-4-13(14)16/h2-9,17H,10H2,1H3.
What are the key properties of methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate?
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate has a molecular weight of 384.25 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate is sourced from PubChem (CID 55353323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).