methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate

C14H10BrClFNO4S — CID 51557872

IUPACmethyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H10BrClFNO4S/c1-22-14(19)10-6-8(15)2-5-13(10)23(20,21)18-12-4-3-9(16)7-11(12)17/h2-7,18H,1H3
InChIKeyPRNSZJMFKXXGLG-UHFFFAOYSA-N
MW422.66 g/mol
LogP3.83
Rot. Bonds4

About methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate

methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate (PubChem CID 51557872) has the molecular formula C14H10BrClFNO4S and a molecular weight of 422.66 g/mol. Its IUPAC name is methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
PubChem CID51557872
Molecular FormulaC14H10BrClFNO4S
Molecular Weight422.66 g/mol
Exact Mass420.92
IUPAC Namemethyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H10BrClFNO4S/c1-22-14(19)10-6-8(15)2-5-13(10)23(20,21)18-12-4-3-9(16)7-11(12)17/h2-7,18H,1H3
InChIKeyPRNSZJMFKXXGLG-UHFFFAOYSA-N
XLogP3.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
CID 55353794
methyl 2-bromo-5-[(2,4-difluorophenyl)sulfamoyl]-4-fluorobenzoate
CID 86957052
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 5-bromo-2-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 51557833
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
methyl 5-bromo-2-[(2,6-diethylphenyl)sulfamoyl]benzoate
CID 112769236
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 4794038
methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate
CID 43678754
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
methyl 5-bromo-2-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]benzoate
CID 55353218

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate (CID 51557872) is methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate is COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate?
The InChIKey is PRNSZJMFKXXGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO4S/c1-22-14(19)10-6-8(15)2-5-13(10)23(20,21)18-12-4-3-9(16)7-11(12)17/h2-7,18H,1H3.
What are the key properties of methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate?
methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate has a molecular weight of 422.66 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 51557872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).