methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate

C14H11BrFNO4S — CID 3831628

IUPACmethyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H11BrFNO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-7-6-9(16)8-11(12)15/h2-8,17H,1H3
InChIKeyWASPXKAIPXHRKH-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.18
Rot. Bonds4

About methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate

methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate (PubChem CID 3831628) has the molecular formula C14H11BrFNO4S and a molecular weight of 388.21 g/mol. Its IUPAC name is methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
PubChem CID3831628
Molecular FormulaC14H11BrFNO4S
Molecular Weight388.21 g/mol
Exact Mass386.96
IUPAC Namemethyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H11BrFNO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-7-6-9(16)8-11(12)15/h2-8,17H,1H3
InChIKeyWASPXKAIPXHRKH-UHFFFAOYSA-N
XLogP3.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 2-bromo-5-[(2,4-difluorophenyl)sulfamoyl]-4-fluorobenzoate
CID 86957052
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
methyl 2-[[2-fluoro-4-(2-hydroxyethylsulfonyl)phenyl]sulfamoyl]benzoate
CID 154759582
methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 3303174
2-amino-N-(2-bromo-4-fluorophenyl)pyridine-3-sulfonamide
CID 62144064

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate (CID 3831628) is methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate?
The InChIKey is WASPXKAIPXHRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-7-6-9(16)8-11(12)15/h2-8,17H,1H3.
What are the key properties of methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate?
methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate has a molecular weight of 388.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 3831628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).